1-(4-bromophenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(2-ethyl-3-methyl-1-benzimidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(2-ethyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Formula: C18H18Br2N2O MolecularWeight: 438.15632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Br)C.[Br-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Br)C.[Br-]

InChI

InChI=1S/C18H18BrN2O.BrH/c1-3-18-20(2)15-6-4-5-7-16(15)21(18)12-17(22)13-8-10-14(19)11-9-13;/h4-11H,3,12H2,1-2H3;1H/q+1;/p-1