2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl-[2-[ethoxy(methyl)phosphoryl]oxyethyl]-(2-methoxyethyl)-methyl-azanium

Systemtic Name: 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl-[2-[ethoxy(methyl)phosphoryl]oxyethyl]-(2-methoxyethyl)-methyl-azanium Openeye Name: 2-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl-[2-[ethoxy(methyl)phosphoryl]oxyethyl]-(2-methoxyethyl)-methyl-ammonium CAS Name: 2-[[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethyl]amino]ethyl-[2-[ethoxy(methyl)phosphoryl]oxyethyl]-(2-methoxyethyl)-methylammonium IUPAC Name: 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl-[2-[ethoxy(methyl)phosphoryl]oxyethyl]-(2-methoxyethyl)-methylazanium Traditional Name: 2-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl-[2-[ethoxy(methyl)phosphoryl]oxyethyl]-(2-methoxyethyl)-methyl-ammonium Formula: C39H72N2O6P+ MolecularWeight: 695.972541

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C)OCC[N+](C)(CCNC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)CCOC

Isomeric SMILES

CCOP(=O)(C)OCC[N+](C)(CCNC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)CCOC

InChI

InChI=1S/C39H71N2O6P/c1-10-45-48(9,43)46-27-25-41(7,24-26-44-8)23-22-40-37(42)47-32-18-20-38(5)31(28-32)14-15-33-35-17-16-34(30(4)13-11-12-29(2)3)39(35,6)21-19-36(33)38/h14,29-30,32-36H,10-13,15-28H2,1-9H3/p+1