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

Systemtic Name: 1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Formula: C13H15BrN2O2 MolecularWeight: 311.1744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N2O2.BrH/c1-14-7-8-15(10-14)9-13(16)11-3-5-12(17-2)6-4-11;/h3-8,10H,9H2,1-2H3;1H/q+1;/p-1