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

Systemtic Name: [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate dibromide Openeye Name: [(2S,3S,5S,10S,13S,17R)-17-acetoxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide CAS Name: acetic acid [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethyl-1-piperazin-4-iumyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester dibromide IUPAC Name: [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide Traditional Name: acetic acid [(2S,3S,5S,10S,13S,17R)-17-acetoxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester dibromide Formula: C35H60Br2N4O4 MolecularWeight: 760.6833

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2CCC3C(C2(CC1N4CC[N+](CC4)(C)C)C)CCC5(C3CC(C5OC(=O)C)N6CC[N+](C=C6)(C)C)C.[Br-].[Br-]

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)N6CC[N+](C=C6)(C)C)C.[Br-].[Br-]

InChI

InChI=1S/C35H60N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h13,17,26-33H,9-12,14-16,18-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27?,28?,29?,30?,31-,32-,33-,34-,35-;;/m0../s1