1-methyl-3-[12-(3-methylbenzimidazol-3-ium-1-yl)dodecyl]benzimidazol-1-ium dibromide

Systemtic Name: 1-methyl-3-[12-(3-methylbenzimidazol-3-ium-1-yl)dodecyl]benzimidazol-1-ium dibromide Openeye Name: 1-methyl-3-[12-(3-methylbenzimidazol-3-ium-1-yl)dodecyl]benzimidazol-1-ium dibromide CAS Name: 1-methyl-3-[12-(3-methyl-1-benzimidazol-3-iumyl)dodecyl]benzimidazol-1-ium dibromide IUPAC Name: 1-methyl-3-[12-(3-methylbenzimidazol-3-ium-1-yl)dodecyl]benzimidazol-1-ium dibromide Traditional Name: 1-methyl-3-[12-(3-methylbenzimidazol-3-ium-1-yl)dodecyl]benzimidazol-1-ium dibromide Formula: C28H40Br2N4 MolecularWeight: 592.452

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CCCCCCCCCCCCN3C=[N+](C4=CC=CC=C43)C.[Br-].[Br-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CCCCCCCCCCCCN3C=[N+](C4=CC=CC=C43)C.[Br-].[Br-]

InChI

InChI=1S/C28H40N4.2BrH/c1-29-23-31(27-19-13-11-17-25(27)29)21-15-9-7-5-3-4-6-8-10-16-22-32-24-30(2)26-18-12-14-20-28(26)32;;/h11-14,17-20,23-24H,3-10,15-16,21-22H2,1-2H3;2*1H/q+2;;/p-2