1-hexadecyl-3-methyl-benzimidazol-3-ium bromide

Systemtic Name: 1-hexadecyl-3-methyl-benzimidazol-3-ium bromide Openeye Name: 1-hexadecyl-3-methyl-benzimidazol-3-ium bromide CAS Name: 1-hexadecyl-3-methylbenzimidazol-3-ium bromide IUPAC Name: 1-hexadecyl-3-methylbenzimidazol-3-ium bromide Traditional Name: 1-cetyl-3-methyl-benzimidazol-3-ium bromide Formula: C24H41BrN2 MolecularWeight: 437.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=[N+](C2=CC=CC=C21)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=[N+](C2=CC=CC=C21)C.[Br-]

InChI

InChI=1S/C24H41N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-22-25(2)23-19-16-17-20-24(23)26;/h16-17,19-20,22H,3-15,18,21H2,1-2H3;1H/q+1;/p-1