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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(3-methylimidazol-3-ium-1-yl)ethanone bromide Formula: C14H17BrN2O3 MolecularWeight: 341.20038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N2O3.BrH/c1-15-6-7-16(10-15)9-12(17)11-4-5-13(18-2)14(8-11)19-3;/h4-8,10H,9H2,1-3H3;1H/q+1;/p-1