1-hexadecylpyridin-1-ium tribromide

Systemtic Name: 1-hexadecylpyridin-1-ium tribromide Openeye Name: 1-hexadecylpyridin-1-ium tribromide CAS Name: 1-hexadecylpyridin-1-ium tribromide IUPAC Name: 1-hexadecylpyridin-1-ium tribromide Traditional Name: 1-cetylpyridin-1-ium tribromide Formula: C21H38Br3N-2 MolecularWeight: 544.24512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.3BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;;/h15,17-18,20-21H,2-14,16,19H2,1H3;3*1H/q+1;;;/p-3