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

Systemtic Name: 2-(dimethylazaniumyl)ethyl [1-[ethanoyl(methyl)amino]-3-octadecoxy-propan-2-yl] phosphate Openeye Name: [1-[[acetyl(methyl)amino]methyl]-2-octadecoxy-ethyl] 2-(dimethylammonio)ethyl phosphate CAS Name: [1-[acetyl(methyl)amino]-3-octadecoxypropan-2-yl] 2-(dimethylammonio)ethyl phosphate IUPAC Name: [1-[acetyl(methyl)amino]-3-octadecoxypropan-2-yl] 2-(dimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[acetyl(methyl)amino]methyl]-2-stearyloxy-ethyl] 2-(dimethylammonio)ethyl phosphate Formula: C28H59N2O6P MolecularWeight: 550.751621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34-26-28(25-30(5)27(2)31)36-37(32,33)35-24-22-29(3)4/h28H,6-26H2,1-5H3,(H,32,33)