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

Systemtic Name: [1-[ethanoyl(methyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[acetyl(methyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[acetyl(methyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[acetyl(methyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[acetyl(methyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C29H61N2O6P MolecularWeight: 564.778201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H61N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-35-27-29(26-30(3)28(2)32)37-38(33,34)36-25-23-31(4,5)6/h29H,7-27H2,1-6H3