NP-MRD: Showing NP-Card for (1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate (NP0262277)

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Record Information

Version

2.0

Created at

2022-09-08 04:59:55 UTC

Updated at

2022-09-08 04:59:55 UTC

NP-MRD ID

NP0262277

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate

Description

(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-olate belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. (1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate is found in Stephania tetrandra. Based on a literature review very few articles have been published on (1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-olate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 48  0  0  0  0  0  0  0  0999 V2000
   -3.3702    4.0212   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378    3.0926   -0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0736    1.9505    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342    1.6561    1.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2913    0.5250    2.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745   -0.3369    1.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7554   -0.0859    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335    1.0510   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    1.3958   -1.5495 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.1835   -1.1125   -0.0128 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2730   -1.0505   -0.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2192    0.0780   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    0.1454    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145    1.1238    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2133    2.0904   -0.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1863    3.0875   -0.7210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    2.0489   -1.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    1.0690   -1.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6357   -2.3402   -0.1332 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.7078   -2.1833   -1.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774   -3.4662   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1623   -2.6630    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648   -1.6194    2.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345    3.4802    0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984    4.6267   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906    4.7178    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3637    2.3257    1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497    0.3022    3.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7511   -1.3899    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784   -1.1345   -2.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9599   -1.9600   -0.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1344   -0.5824    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    1.1814    1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003    3.9711   -0.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839    2.7991   -2.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7067    1.0889   -2.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363   -1.6472   -1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -1.7142   -0.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454   -3.1936   -1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -3.5463    0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4245   -4.3776   -0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944   -3.4555   -1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8242   -3.6683    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2863   -2.7901    1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451   -1.8984    3.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0138   -1.6123    2.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 23  1  0
 23 22  1  0
 22 19  1  0
 19 20  1  0
 19 21  1  0
 19 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 10  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  7  6  1  0
 18 12  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  0
 23 45  1  0
 23 46  1  0
 22 43  1  0
 22 44  1  0
 20 37  1  0
 20 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 21 42  1  0
 10 29  1  1
 11 30  1  0
 11 31  1  0
 13 32  1  0
 14 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
M  CHG  2   9  -1  19   1
M  END


  Mrv1652309082206592D          

 23 25  0  0  1  0            999 V2000
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4256    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559   -0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 23  1  0  0  0  0
M  CHG  2   9  -1  19   1
M  END
> <DATABASE_ID>
NP0262277

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1[O-]

> <INCHI_IDENTIFIER>
InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/t16-/m0/s1

> <INCHI_KEY>
POJZOQWVMMYVBU-INIZCTEOSA-N

> <FORMULA>
C19H23NO3

> <MOLECULAR_WEIGHT>
313.397

> <EXACT_MASS>
313.167793605

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
33.980011510689394

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-olate

> <JCHEM_LOGP>
-0.8997060438050789

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
10.124669793113815

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.204542950053645

> <JCHEM_PKA_STRONGEST_BASIC>
-4.891329086905274

> <JCHEM_POLAR_SURFACE_AREA>
52.519999999999996

> <JCHEM_REFRACTIVITY>
113.83699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O-1
HETATM   10  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+1
HETATM   20  C   UNK     0       4.528   0.677   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.518  -1.037   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   23                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    7   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   12                                                       
CONECT   19   10   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19   23                                                       
CONECT   23   22    6                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
(1S)-1-[(4-Hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-8-olic acid	Generator

Chemical Formula

C₁₉H₂₃NO₃

Average Mass

313.3970 Da

Monoisotopic Mass

313.16779 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1[O-]

InChI Identifier

InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/t16-/m0/s1

InChI Key

POJZOQWVMMYVBU-INIZCTEOSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Stephania tetrandra	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Benzylisoquinolines

Direct Parent

Benzylisoquinolines

Alternative Parents

Substituents

Benzylisoquinoline
Tetrahydroisoquinoline
Anisole
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenoxide
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Tetraalkylammonium salt
Quaternary ammonium salt
Azacycle
Ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organic zwitterion
Organooxygen compound
Organonitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

163193352

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate (NP0262277)

MOL for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

3D MOL for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

3D SDF for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

3D-SDF for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

PDB for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

3D PDB for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

SMILES for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

INCHI for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

Structure for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)

3D Structure for NP0262277 ((1s)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1h-isoquinolin-2-ium-8-olate)