[1-[hexadecyl(phenylcarbamoyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[hexadecyl(phenylcarbamoyl)amino]-3-icosoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[hexadecyl(phenylcarbamoyl)amino]methyl]-2-icosoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[anilino(oxo)methyl]-hexadecylamino]-3-eicosoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[hexadecyl(phenylcarbamoyl)amino]-3-icosoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(arachyloxymethyl)-2-[cetyl(phenylcarbamoyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C51H98N3O6P MolecularWeight: 880.314081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C51H98N3O6P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-40-45-58-48-50(60-61(56,57)59-46-44-54(3,4)5)47-53(51(55)52-49-41-37-36-38-42-49)43-39-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h36-38,41-42,50H,6-35,39-40,43-48H2,1-5H3,(H-,52,55,56,57)