[1-[aminocarbonyl(hexadecyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[aminocarbonyl(hexadecyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[carbamoyl(hexadecyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[carbamoyl(hexadecyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[carbamoyl(hexadecyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[carbamoyl(cetyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H90N3O6P MolecularWeight: 776.164961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)N)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)N)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C43H90N3O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-50-41-42(52-53(48,49)51-39-37-46(3,4)5)40-45(43(44)47)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3,(H2-,44,47,48,49)