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

Systemtic Name: [1-hexadecoxy-3-[hexadecyl(phenylcarbamoyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(hexadecoxymethyl)-2-[hexadecyl(phenylcarbamoyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[anilino(oxo)methyl]-hexadecylamino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-[hexadecyl(phenylcarbamoyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(cetyloxymethyl)-2-[cetyl(phenylcarbamoyl)amino]ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C47H90N3O6P MolecularWeight: 824.207761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)NC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C47H90N3O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-35-39-49(47(51)48-45-37-33-32-34-38-45)43-46(56-57(52,53)55-42-40-50(3,4)5)44-54-41-36-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32-34,37-38,46H,6-31,35-36,39-44H2,1-5H3,(H-,48,51,52,53)