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

Systemtic Name: 3-[4-[(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl-dimethyl-(3-sulfopropyl)azanium Openeye Name: 3-[4-[(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl-dimethyl-(3-sulfopropyl)ammonium CAS Name: 3-[[4-[(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]propyl-dimethyl-(3-sulfopropyl)ammonium IUPAC Name: 3-[4-[(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl-dimethyl-(3-sulfopropyl)azanium Traditional Name: 3-[4-[(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]propyl-dimethyl-(3-sulfopropyl)ammonium Formula: C32H59N2O4S+ MolecularWeight: 567.88686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

Isomeric SMILES

CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CCCC4)C)C

InChI

InChI=1S/C32H58N2O4S/c1-24(11-16-30(35)33-20-8-21-34(4,5)22-9-23-39(36,37)38)27-14-15-28-26-13-12-25-10-6-7-18-31(25,2)29(26)17-19-32(27,28)3/h24-29H,6-23H2,1-5H3,(H-,33,35,36,37,38)/p+1/t24?,25?,26?,27?,28?,29?,31-,32+/m0/s1