1-hexadecyl-2,3-dimethyl-benzimidazol-3-ium bromide

Systemtic Name: 1-hexadecyl-2,3-dimethyl-benzimidazol-3-ium bromide Openeye Name: 1-hexadecyl-2,3-dimethyl-benzimidazol-3-ium bromide CAS Name: 1-hexadecyl-2,3-dimethylbenzimidazol-3-ium bromide IUPAC Name: 1-hexadecyl-2,3-dimethylbenzimidazol-3-ium bromide Traditional Name: 1-cetyl-2,3-dimethyl-benzimidazol-3-ium bromide Formula: C25H43BrN2 MolecularWeight: 451.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-23(2)26(3)24-20-17-18-21-25(24)27;/h17-18,20-21H,4-16,19,22H2,1-3H3;1H/q+1;/p-1