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Reference substance information

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

Molecular and structural information

Molecular formula:
C23H50Cl1N5O3 (Representative molecular formula for C12 alkyl chain quaternised arginine)
Molecular weight:
ca. 480.14
SMILES notation:
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)CNC(CCCNC(N)=N)C(O)=O (Representative SMILES for C12 alkyl chain quaternised arginine)
InChl:
InChI=1/C23H49N5O3.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-28(2,3)19-20(29)18-27-21(22(30)31)15-14-16-26-23(24)25;/h20-21,27,29H,4-19H2,1-3H3,(H4-,24,25,26,30,31);1H (Representative InChI for C12 alkyl chain quaternised arginine)
Structural formula:
Chemical structure