1-[[2-bromanyl-3-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-benzimidazol-3-ium

Systemtic Name: 1-[[2-bromanyl-3-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-benzimidazol-3-ium Openeye Name: 1-[[2-bromo-3-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-benzimidazol-3-ium CAS Name: 1-[[2-bromo-3-[(3-methyl-1-benzimidazol-3-iumyl)methyl]phenyl]methyl]-3-methylbenzimidazol-3-ium IUPAC Name: 1-[[2-bromo-3-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methylbenzimidazol-3-ium Traditional Name: 1-[2-bromo-3-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzyl]-3-methyl-benzimidazol-3-ium Formula: C24H23BrN4+2 MolecularWeight: 447.37022

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC3=C(C(=CC=C3)CN4C=[N+](C5=CC=CC=C54)C)Br

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC3=C(C(=CC=C3)CN4C=[N+](C5=CC=CC=C54)C)Br

InChI

InChI=1S/C24H23BrN4/c1-26-16-28(22-12-5-3-10-20(22)26)14-18-8-7-9-19(24(18)25)15-29-17-27(2)21-11-4-6-13-23(21)29/h3-13,16-17H,14-15H2,1-2H3/q+2