1-(3,4-dimethoxyphenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone chloride

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone chloride Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone chloride CAS Name: 1-(3,4-dimethoxyphenyl)-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone chloride Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone chloride Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4.ClH/c1-19-14-6-5-11(8-15(14)20-2)13(18)10-16-7-3-4-12(17)9-16;/h3-9H,10H2,1-2H3;1H