1-hexadecyl-3-[6-(3-hexadecylbenzimidazol-3-ium-1-yl)pyridin-2-yl]benzimidazol-1-ium dibromide

Systemtic Name: 1-hexadecyl-3-[6-(3-hexadecylbenzimidazol-3-ium-1-yl)pyridin-2-yl]benzimidazol-1-ium dibromide Openeye Name: 1-hexadecyl-3-[6-(3-hexadecylbenzimidazol-3-ium-1-yl)-2-pyridyl]benzimidazol-1-ium dibromide CAS Name: 1-hexadecyl-3-[6-(3-hexadecyl-1-benzimidazol-3-iumyl)-2-pyridinyl]benzimidazol-1-ium dibromide IUPAC Name: 1-hexadecyl-3-[6-(3-hexadecylbenzimidazol-3-ium-1-yl)pyridin-2-yl]benzimidazol-1-ium dibromide Traditional Name: 1-cetyl-3-[6-(3-cetylbenzimidazol-3-ium-1-yl)-2-pyridyl]benzimidazol-1-ium dibromide Formula: C51H79Br2N5 MolecularWeight: 922.01446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CN(C2=CC=CC=C21)C3=NC(=CC=C3)N4C=[N+](C5=CC=CC=C54)CCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CN(C2=CC=CC=C21)C3=NC(=CC=C3)N4C=[N+](C5=CC=CC=C54)CCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C51H79N5.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-42-53-44-55(48-38-31-29-36-46(48)53)50-40-35-41-51(52-50)56-45-54(47-37-30-32-39-49(47)56)43-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h29-32,35-41,44-45H,3-28,33-34,42-43H2,1-2H3;2*1H/q+2;;/p-2