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

Systemtic Name: [1-octadecoxy-3-[phenylmethoxycarbonyl-(phenylmethyl)amino]propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[benzyl(benzyloxycarbonyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-[phenylmethoxycarbonyl-(phenylmethyl)amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[benzyl(phenylmethoxycarbonyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[benzyl(carbobenzoxy)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C41H69N2O7P MolecularWeight: 732.969521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H69N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-47-37-40(50-51(45,46)49-33-31-43(2,3)4)35-42(34-38-27-22-20-23-28-38)41(44)48-36-39-29-24-21-25-30-39/h20-25,27-30,40H,5-19,26,31-37H2,1-4H3