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

Systemtic Name: 2-[dimethyl(3-oxidanylpropyl)azaniumyl]ethyl 3-(octadecanoylamino)propyl phosphate Openeye Name: 2-[3-hydroxypropyl(dimethyl)ammonio]ethyl 3-(octadecanoylamino)propyl phosphate CAS Name: 2-[3-hydroxypropyl(dimethyl)ammonio]ethyl 3-(1-oxooctadecylamino)propyl phosphate IUPAC Name: 2-[3-hydroxypropyl(dimethyl)azaniumyl]ethyl 3-(octadecanoylamino)propyl phosphate Traditional Name: 2-[3-hydroxypropyl(dimethyl)ammonio]ethyl 3-stearamidopropyl phosphate Formula: C28H59N2O6P MolecularWeight: 550.751621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCCOP(=O)([O-])OCC[N+](C)(C)CCCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCCOP(=O)([O-])OCC[N+](C)(C)CCCO

InChI

InChI=1S/C28H59N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28(32)29-22-19-26-35-37(33,34)36-27-24-30(2,3)23-20-25-31/h31H,4-27H2,1-3H3,(H-,29,32,33,34)