sodium (2-methoxy-3-octadecoxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: sodium (2-methoxy-3-octadecoxy-propyl) 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: sodium (2-methoxy-3-octadecoxy-propyl) 2-(trimethylammonio)ethyl phosphate CAS Name: sodium (2-methoxy-3-octadecoxypropyl) 2-(trimethylammonio)ethyl phosphate IUPAC Name: sodium (2-methoxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: sodium (2-methoxy-3-stearyloxy-propyl) 2-(trimethylammonio)ethyl phosphate Formula: C27H58NNaO6P+ MolecularWeight: 546.716051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.[Na+]

InChI

InChI=1S/C27H58NO6P.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4;/h27H,6-26H2,1-5H3;/q;+1