1-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(3,4-dichlorophenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dichlorophenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Formula: C12H11BrCl2N2O MolecularWeight: 350.03854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC(=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C12H11Cl2N2O.BrH/c1-15-4-5-16(8-15)7-12(17)9-2-3-10(13)11(14)6-9;/h2-6,8H,7H2,1H3;1H/q+1;/p-1