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

Systemtic Name: 4-chloranylbut-2-ynyl-hexadecyl-dimethyl-azanium Openeye Name: 4-chlorobut-2-ynyl-hexadecyl-dimethyl-ammonium CAS Name: 4-chlorobut-2-ynyl-hexadecyl-dimethylammonium IUPAC Name: 4-chlorobut-2-ynyl-hexadecyl-dimethylazanium Traditional Name: cetyl-(4-chlorobut-2-ynyl)-dimethyl-ammonium Formula: C22H43ClN+ MolecularWeight: 357.03652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl

InChI

InChI=1S/C22H43ClN/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/q+1