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

Systemtic Name: [1-[hexadecyl(phenylcarbamoyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[hexadecyl(phenylcarbamoyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[anilino(oxo)methyl]-hexadecylamino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[hexadecyl(phenylcarbamoyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[cetyl(phenylcarbamoyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C49H94N3O6P MolecularWeight: 852.260921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H94N3O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-38-43-56-46-48(58-59(54,55)57-44-42-52(3,4)5)45-51(49(53)50-47-39-35-34-36-40-47)41-37-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h34-36,39-40,48H,6-33,37-38,41-46H2,1-5H3,(H-,50,53,54,55)