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

Systemtic Name: [1-[ethanoyl(hexadecyl)amino]-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[acetyl(hexadecyl)amino]methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[acetyl(hexadecyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[acetyl(hexadecyl)amino]-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[acetyl(cetyl)amino]methyl]-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H87N2O6P MolecularWeight: 747.123741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H87N2O6P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43(41(3)45)39-42(50-51(46,47)49-38-36-44(4,5)6)40-48-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h42H,7-40H2,1-6H3