[2-[2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-trimethyl-azanium chloride

Systemtic Name: [2-[2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-trimethyl-azanium chloride Openeye Name: [2-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]-2-oxo-ethyl]-trimethyl-ammonium chloride CAS Name: [2-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-2-oxoethyl]-trimethylammonium chloride IUPAC Name: [2-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-2-oxoethyl]-trimethylazanium chloride Traditional Name: [2-[2-(11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-keto-ethoxy]-2-keto-ethyl]-trimethyl-ammonium chloride Formula: C26H40ClNO6 MolecularWeight: 498.0519

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C[N+](C)(C)C)O)C)O.[Cl-]

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C[N+](C)(C)C)O)C)O.[Cl-]

InChI

InChI=1S/C26H40NO6.ClH/c1-24-10-8-17(28)12-16(24)6-7-18-19-9-11-26(32,25(19,2)13-20(29)23(18)24)21(30)15-33-22(31)14-27(3,4)5;/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3;1H/q+1;/p-1