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Reference substance information

IUPAC name:
Glutamic acid reaction product with 3-chloro-2-hydroxypropyl-cocoalkyl-dimethylammonium chloride

Molecular and structural information

Molecular formula:
C22H45Cl1N2O5 (representative molecular formula for C12 alkyl chain quaternised glutamic acid)
Molecular weight:
ca. 396.96 - ca. 537.23
SMILES notation:
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCC(O)=O)C(O)=O (representative SMILES for C12 alkyl chain quaternised glutamic acid)
InChl:
InChI=1/C22H44N2O5.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-24(2,3)18-19(25)17-23-20(22(28)29)14-15-21(26)27;/h19-20,23,25H,4-18H2,1-3H3,(H-,26,27,28,29);1H (representative InChI for C12 alkyl chain quaternised glutamic acid)
Structural formula:
Chemical structure