1-[(2R,10S,13R,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methyl-piperidin-1-ium

Systemtic Name: 1-[(2R,10S,13R,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methyl-piperidin-1-ium Openeye Name: 1-[(2R,10S,13R,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methyl-piperidin-1-ium CAS Name: 1-[(2R,10S,13R,16S)-10,13-dimethyl-2-(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methylpiperidin-1-ium IUPAC Name: 1-[(2R,10S,13R,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methylpiperidin-1-ium Traditional Name: 1-[(2R,10S,13R,16S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]-1-methyl-piperidin-1-ium Formula: C31H56N2+2 MolecularWeight: 456.78974

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2)[N+]4(CCCCC4)C)CCC5C3(CC(CC5)[N+]6(CCCCC6)C)C

Isomeric SMILES

C[C@]12CCC3C(C1C[C@@H](C2)[N+]4(CCCCC4)C)CCC5[C@@]3(C[C@@H](CC5)[N+]6(CCCCC6)C)C

InChI

InChI=1S/C31H56N2/c1-30-16-15-28-27(29(30)21-26(22-30)33(4)19-9-6-10-20-33)14-12-24-11-13-25(23-31(24,28)2)32(3)17-7-5-8-18-32/h24-29H,5-23H2,1-4H3/q+2/t24?,25-,26+,27?,28?,29?,30-,31+/m1/s1