sodium methyl-dioctadecyl-(2-oxidanyl-2-oxidanylidene-ethyl)azanium chloride

Systemtic Name: sodium methyl-dioctadecyl-(2-oxidanyl-2-oxidanylidene-ethyl)azanium chloride Openeye Name: sodium (2-hydroxy-2-oxo-ethyl)-methyl-dioctadecyl-ammonium chloride CAS Name: sodium (2-hydroxy-2-oxoethyl)-methyl-dioctadecylammonium chloride IUPAC Name: sodium (2-hydroxy-2-oxoethyl)-methyl-dioctadecylazanium chloride Traditional Name: sodium (2-hydroxy-2-keto-ethyl)-methyl-distearyl-ammonium chloride Formula: C39H79ClNNaO2 MolecularWeight: 652.49283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)[CH-]C(=O)O.[Na+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)[CH-]C(=O)O.[Na+].[Cl-]

InChI

InChI=1S/C39H79NO2.ClH.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(3,38-39(41)42)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;;/h38H,4-37H2,1-3H3,(H,41,42);1H;/q;;+1/p-1