1-hexadecyl-2-methyl-pyridin-1-ium bromide

Systemtic Name: 1-hexadecyl-2-methyl-pyridin-1-ium bromide Openeye Name: 1-hexadecyl-2-methyl-pyridin-1-ium bromide CAS Name: 1-hexadecyl-2-methylpyridin-1-ium bromide IUPAC Name: 1-hexadecyl-2-methylpyridin-1-ium bromide Traditional Name: 1-cetyl-2-methyl-pyridin-1-ium bromide Formula: C22H40BrN MolecularWeight: 398.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1C.[Br-]

InChI

InChI=1S/C22H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22(23)2;/h16,18-19,21H,3-15,17,20H2,1-2H3;1H/q+1;/p-1