Mrv1652309122217172D 23 27 0 0 1 0 999 V2000 0.3678 -3.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 -2.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 -1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 -0.2628 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7494 -0.3946 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2171 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 0.6768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8544 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -0.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -1.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 -1.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2726 -0.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -0.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6937 -0.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 -0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5845 1.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7687 1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 3 14 1 0 0 0 0 14 15 1 1 0 0 0 16 15 1 6 0 0 0 9 16 1 0 0 0 0 5 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 9 23 1 0 0 0 0 M CHG 2 5 1 6 -1 M END > NP0330182 > NP-MRD > CC=C1C[N+]2([O-])CC[C@]34C=C(CO)[C@H]1C[C@]23NC1=CC=CC=C41 > InChI=1S/C19H22N2O2/c1-2-13-11-21(23)8-7-18-9-14(12-22)15(13)10-19(18,21)20-17-6-4-3-5-16(17)18/h2-6,9,15,20,22H,7-8,10-12H2,1H3/t15-,18+,19-,21?/m0/s1 > JAEYVIULIFERFK-YVOLLYGLSA-N > C19H22N2O2 > 310.397 > 310.168127956 > 3 > 45 > 33.99748307697841 > 1 > 2 > 0 > 1 > (1R,9S,11S)-12-ethylidene-18-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{9,14}]octadeca-2,4,6,17-tetraen-14-ium-14-olate > 0.7373496799999999 > 0 > 5 > 0 > 15.134764316210767 > 12.699319342809744 > 2.5015563454136847 > 55.32 > 93.62640000000002 > 1 > 1 > (1R,9S,11S)-12-ethylidene-18-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{9,14}]octadeca-2,4,6,17-tetraen-14-ium-14-olate > 0 > NP0330182 > (1r,9s,11s)-12-ethylidene-18-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0⁹,¹⁴]octadeca-2,4,6,17-tetraen-14-ium-14-olate $$$$