2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-methylphenyl)ethanone bromide

Systemtic Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(2,3-dimethyl-1-imidazol-3-iumyl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(p-tolyl)ethanone bromide Formula: C14H17BrN2O MolecularWeight: 309.20158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=C[N+](=C2C)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=C[N+](=C2C)C.[Br-]

InChI

InChI=1S/C14H17N2O.BrH/c1-11-4-6-13(7-5-11)14(17)10-16-9-8-15(3)12(16)2;/h4-9H,10H2,1-3H3;1H/q+1;/p-1