1-(3-methoxyphenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(3-methoxyphenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-1-(3-methoxyphenyl)ethanone bromide IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone bromide Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H18NO3.BrH/c1-25-19-9-5-8-18(14-19)20(23)15-22-12-10-17(11-13-22)21(24)16-6-3-2-4-7-16;/h2-14H,15H2,1H3;1H/q+1;/p-1