2-[[6-[[17-(5-ethyl-6-methyl-heptan-2-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]oxy]-6-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[6-[[17-(5-ethyl-6-methyl-heptan-2-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]oxy]-6-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[6-[[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-oxo-hexoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[6-[[17-(5-ethyl-6-methylheptan-2-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]oxy]-6-oxohexoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[6-[[17-(5-ethyl-6-methylheptan-2-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]oxy]-6-oxohexoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[6-[[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-keto-hexoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C40H75NO6P+ MolecularWeight: 697.000361

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCCCCOP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C

Isomeric SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)CCCCCOP(=O)(O)OCC[N+](C)(C)C)C)C)C(C)C

InChI

InChI=1S/C40H74NO6P/c1-10-31(29(2)3)16-15-30(4)35-19-20-36-34-18-17-32-28-33(21-23-39(32,5)37(34)22-24-40(35,36)6)47-38(42)14-12-11-13-26-45-48(43,44)46-27-25-41(7,8)9/h29-37H,10-28H2,1-9H3/p+1