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

Systemtic Name: 2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethyl-azanium Openeye Name: 2-acetoxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetoxyethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethyl-ammonium CAS Name: 2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylammonium IUPAC Name: 2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazanium Traditional Name: 2-acetoxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetoxyethyl(dimethyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethyl-ammonium Formula: C31H56N2O4+2 MolecularWeight: 520.78734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[N+](C)(C)C1CCC2(C(C1)CCC3C2CCC4(C3CCC4[N+](C)(C)CCOC(=O)C)C)C

Isomeric SMILES

CC(=O)OCC[N+](C)(C)[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(C)CCOC(=O)C)C)C

InChI

InChI=1S/C31H56N2O4/c1-22(34)36-19-17-32(5,6)25-13-15-30(3)24(21-25)9-10-26-27-11-12-29(31(27,4)16-14-28(26)30)33(7,8)18-20-37-23(2)35/h24-29H,9-21H2,1-8H3/q+2/t24-,25+,26-,27?,28?,29+,30-,31-/m0/s1