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

Systemtic Name: [1-[ethanoyl(hexadecyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[acetyl(hexadecyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[acetyl(hexadecyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[acetyl(hexadecyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[acetyl(cetyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C44H91N2O6P MolecularWeight: 775.176901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H91N2O6P/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-39-50-42-44(52-53(48,49)51-40-38-46(4,5)6)41-45(43(3)47)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h44H,7-42H2,1-6H3