disodium 2-[methyl(2-oxidanyloctadecyl)amino]ethyl phosphate

Systemtic Name: disodium 2-[methyl(2-oxidanyloctadecyl)amino]ethyl phosphate Openeye Name: disodium 2-[2-hydroxyoctadecyl(methyl)amino]ethyl phosphate CAS Name: disodium 2-[2-hydroxyoctadecyl(methyl)amino]ethyl phosphate IUPAC Name: disodium 2-[2-hydroxyoctadecyl(methyl)amino]ethyl phosphate Traditional Name: disodium 2-[2-hydroxyoctadecyl(methyl)amino]ethyl phosphate Formula: C21H44NNa2O5P MolecularWeight: 467.531061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CN(C)CCOP(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CN(C)CCOP(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C21H46NO5P.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)20-22(2)18-19-27-28(24,25)26;;/h21,23H,3-20H2,1-2H3,(H2,24,25,26);;/q;2*+1/p-2