(3-chloranyl-2-oxidanyl-propyl)-hexadecyl-dimethyl-azanium chloride

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl)-hexadecyl-dimethyl-azanium chloride Openeye Name: (3-chloro-2-hydroxy-propyl)-hexadecyl-dimethyl-ammonium chloride CAS Name: (3-chloro-2-hydroxypropyl)-hexadecyl-dimethylammonium chloride IUPAC Name: (3-chloro-2-hydroxypropyl)-hexadecyl-dimethylazanium chloride Traditional Name: cetyl-(3-chloro-2-hydroxy-propyl)-dimethyl-ammonium chloride Formula: C21H45Cl2NO MolecularWeight: 398.4941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC(CCl)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC(CCl)O.[Cl-]

InChI

InChI=1S/C21H45ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(2,3)20-21(24)19-22;/h21,24H,4-20H2,1-3H3;1H/q+1;/p-1