[1-[ethanoyl(methyl)amino]-3-octadecoxy-propan-2-yl] 4-(trimethylazaniumyl)butyl phosphate

Systemtic Name: [1-[ethanoyl(methyl)amino]-3-octadecoxy-propan-2-yl] 4-(trimethylazaniumyl)butyl phosphate Openeye Name: [1-[[acetyl(methyl)amino]methyl]-2-octadecoxy-ethyl] 4-(trimethylammonio)butyl phosphate CAS Name: [1-[acetyl(methyl)amino]-3-octadecoxypropan-2-yl] 4-(trimethylammonio)butyl phosphate IUPAC Name: [1-[acetyl(methyl)amino]-3-octadecoxypropan-2-yl] 4-(trimethylazaniumyl)butyl phosphate Traditional Name: [1-[[acetyl(methyl)amino]methyl]-2-stearyloxy-ethyl] 4-(trimethylammonio)butyl phosphate Formula: C31H65N2O6P MolecularWeight: 592.831361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H65N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-37-29-31(28-32(3)30(2)34)39-40(35,36)38-27-24-22-25-33(4,5)6/h31H,7-29H2,1-6H3