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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(4-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(4-methylpyridin-1-ium-1-yl)ethanone bromide Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=CC(=C(C=C2)OC)OC.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=CC(=C(C=C2)OC)OC.[Br-]

InChI

InChI=1S/C16H18NO3.BrH/c1-12-6-8-17(9-7-12)11-14(18)13-4-5-15(19-2)16(10-13)20-3;/h4-10H,11H2,1-3H3;1H/q+1;/p-1