1-hexadecylpyridin-1-ium bromide chloride

Systemtic Name: 1-hexadecylpyridin-1-ium bromide chloride Openeye Name: 1-hexadecylpyridin-1-ium bromide chloride CAS Name: 1-hexadecylpyridin-1-ium bromide chloride IUPAC Name: 1-hexadecylpyridin-1-ium bromide chloride Traditional Name: 1-cetylpyridin-1-ium bromide chloride Formula: C42H76BrClN2 MolecularWeight: 724.42324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Br-]

InChI

InChI=1S/2C21H38N.BrH.ClH/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h2*15,17-18,20-21H,2-14,16,19H2,1H3;2*1H/q2*+1;;/p-2