2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide

Systemtic Name: 2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(2-butyl-3-methyl-1-benzimidazol-3-iumyl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(2-butyl-3-methylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(2-butyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C20H22BrClN2O MolecularWeight: 421.75848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl)C.[Br-]

Isomeric SMILES

CCCCC1=[N+](C2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl)C.[Br-]

InChI

InChI=1S/C20H22ClN2O.BrH/c1-3-4-9-20-22(2)17-7-5-6-8-18(17)23(20)14-19(24)15-10-12-16(21)13-11-15;/h5-8,10-13H,3-4,9,14H2,1-2H3;1H/q+1;/p-1