[chloranyl-(2-chlorophenyl)methyl]-hexadecyl-dimethyl-azanium chloride

Systemtic Name: [chloranyl-(2-chlorophenyl)methyl]-hexadecyl-dimethyl-azanium chloride Openeye Name: [chloro-(2-chlorophenyl)methyl]-hexadecyl-dimethyl-ammonium chloride CAS Name: [chloro-(2-chlorophenyl)methyl]-hexadecyl-dimethylammonium chloride IUPAC Name: [chloro-(2-chlorophenyl)methyl]-hexadecyl-dimethylazanium chloride Traditional Name: cetyl-[chloro-(2-chlorophenyl)methyl]-dimethyl-ammonium chloride Formula: C25H44Cl3N MolecularWeight: 464.98256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1Cl)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1Cl)Cl.[Cl-]

InChI

InChI=1S/C25H44Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28(2,3)25(27)23-20-17-18-21-24(23)26;/h17-18,20-21,25H,4-16,19,22H2,1-3H3;1H/q+1;/p-1