(1-acetamido-3-octadecoxy-propan-2-yl) 2-[butan-2-yl(dimethyl)azaniumyl]ethyl phosphate

Systemtic Name: (1-acetamido-3-octadecoxy-propan-2-yl) 2-[butan-2-yl(dimethyl)azaniumyl]ethyl phosphate Openeye Name: [1-(acetamidomethyl)-2-octadecoxy-ethyl] 2-[dimethyl(sec-butyl)ammonio]ethyl phosphate CAS Name: (1-acetamido-3-octadecoxypropan-2-yl) 2-[butan-2-yl(dimethyl)ammonio]ethyl phosphate IUPAC Name: (1-acetamido-3-octadecoxypropan-2-yl) 2-[butan-2-yl(dimethyl)azaniumyl]ethyl phosphate Traditional Name: [1-(acetamidomethyl)-2-stearyloxy-ethyl] 2-[dimethyl(sec-butyl)ammonio]ethyl phosphate Formula: C31H65N2O6P MolecularWeight: 592.831361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H65N2O6P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-37-28-31(27-32-30(4)34)39-40(35,36)38-26-24-33(5,6)29(3)8-2/h29,31H,7-28H2,1-6H3,(H-,32,34,35,36)