4-chloranylbut-2-ynyl-hexadecyl-dimethyl-azanium chloride

Systemtic Name: 4-chloranylbut-2-ynyl-hexadecyl-dimethyl-azanium chloride Openeye Name: 4-chlorobut-2-ynyl-hexadecyl-dimethyl-ammonium chloride CAS Name: 4-chlorobut-2-ynyl-hexadecyl-dimethylammonium chloride IUPAC Name: 4-chlorobut-2-ynyl-hexadecyl-dimethylazanium chloride Traditional Name: cetyl-(4-chlorobut-2-ynyl)-dimethyl-ammonium chloride Formula: C22H43Cl2N MolecularWeight: 392.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl.[Cl-]

InChI

InChI=1S/C22H43ClN.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(2,3)22-19-17-20-23;/h4-16,18,20-22H2,1-3H3;1H/q+1;/p-1