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

Systemtic Name: [1-[ethanoyl-(phenylmethyl)amino]-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[acetyl(benzyl)amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[acetyl-(phenylmethyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[acetyl(benzyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[acetyl(benzyl)amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H61N2O6P MolecularWeight: 612.821001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H61N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-39-30-33(41-42(37,38)40-27-25-35(3,4)5)29-34(31(2)36)28-32-23-20-19-21-24-32/h19-21,23-24,33H,6-18,22,25-30H2,1-5H3