1-hexadecyl-4-methyl-pyridin-1-ium bromide

Systemtic Name: 1-hexadecyl-4-methyl-pyridin-1-ium bromide Openeye Name: 1-hexadecyl-4-methyl-pyridin-1-ium bromide CAS Name: 1-hexadecyl-4-methylpyridin-1-ium bromide IUPAC Name: 1-hexadecyl-4-methylpyridin-1-ium bromide Traditional Name: 1-cetyl-4-methyl-pyridin-1-ium bromide Formula: C22H40BrN MolecularWeight: 398.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Br-]

InChI

InChI=1S/C22H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;/h17-18,20-21H,3-16,19H2,1-2H3;1H/q+1;/p-1