2-[dimethyl(propyl)azaniumyl]ethyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate

Systemtic Name: 2-[dimethyl(propyl)azaniumyl]ethyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate Openeye Name: 2-[dimethyl(propyl)ammonio]ethyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate CAS Name: 2-[dimethyl(propyl)ammonio]ethyl [2-ethoxy-3-(1-oxooctadecylamino)propyl] phosphate IUPAC Name: 2-[dimethyl(propyl)azaniumyl]ethyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate Traditional Name: 2-[dimethyl(propyl)ammonio]ethyl (2-ethoxy-3-stearamido-propyl) phosphate Formula: C30H63N2O6P MolecularWeight: 578.804781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)CCC)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)CCC)OCC

InChI

InChI=1S/C30H63N2O6P/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(33)31-27-29(36-8-3)28-38-39(34,35)37-26-25-32(4,5)24-7-2/h29H,6-28H2,1-5H3,(H-,31,33,34,35)