[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] N-[2-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxyethyl]carbamate

Systemtic Name: [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] N-[2-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxyethyl]carbamate Openeye Name: [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] N-[2-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxyethyl]carbamate CAS Name: N-[2-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxyethyl]carbamic acid [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] ester IUPAC Name: [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] N-[2-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxyethyl]carbamate Traditional Name: N-[2-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxyethyl]carbamic acid [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] ester Formula: C39H66N2O6P+ MolecularWeight: 689.924901

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)NCCOP(=O)(O)OCC[N+]5=CC=CC=C5)C)C)C(C)C

Isomeric SMILES

CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)NCCOP(=O)(O)OCC[N+]5=CC=CC=C5)C)C)C(C)C

InChI

InChI=1S/C39H65N2O6P/c1-7-30(28(2)3)12-11-29(4)34-15-16-35-33-14-13-31-27-32(17-19-38(31,5)36(33)18-20-39(34,35)6)47-37(42)40-21-25-45-48(43,44)46-26-24-41-22-9-8-10-23-41/h8-10,22-23,28-36H,7,11-21,24-27H2,1-6H3,(H-,40,42,43,44)/p+1