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

Systemtic Name: 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C16H15BrClN3O MolecularWeight: 380.6668

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Cl)N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)Cl)N.[Br-]

InChI

InChI=1S/C16H14ClN3O.BrH/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11;/h2-9,18H,10H2,1H3;1H