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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-1-(3,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20NO4.BrH/c1-26-20-9-8-18(14-21(20)27-2)19(24)15-23-12-10-17(11-13-23)22(25)16-6-4-3-5-7-16;/h3-14H,15H2,1-2H3;1H/q+1;/p-1