[1-hexadecoxy-3-[phenylmethoxycarbonyl-(phenylmethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-hexadecoxy-3-[phenylmethoxycarbonyl-(phenylmethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[benzyl(benzyloxycarbonyl)amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[phenylmethoxycarbonyl-(phenylmethyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[benzyl(phenylmethoxycarbonyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[benzyl(carbobenzoxy)amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C39H65N2O7P MolecularWeight: 704.916361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C39H65N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-45-35-38(48-49(43,44)47-31-29-41(2,3)4)33-40(32-36-25-20-18-21-26-36)39(42)46-34-37-27-22-19-23-28-37/h18-23,25-28,38H,5-17,24,29-35H2,1-4H3