5-methoxy-2-(4-methylsulfinylpyridin-1-ium-1-yl)pyran-4-one

Systemtic Name: 5-methoxy-2-(4-methylsulfinylpyridin-1-ium-1-yl)pyran-4-one Openeye Name: 5-methoxy-2-(4-methylsulfinylpyridin-1-ium-1-yl)pyran-4-one CAS Name: 5-methoxy-2-(4-methylsulfinyl-1-pyridin-1-iumyl)-4-pyranone IUPAC Name: 5-methoxy-2-(4-methylsulfinylpyridin-1-ium-1-yl)pyran-4-one Traditional Name: 5-methoxy-2-(4-methylsulfinylpyridin-1-ium-1-yl)pyran-4-one Formula: C12H12NO4S+ MolecularWeight: 266.29298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=COC(=CC1=O)[N+]2=CC=C(C=C2)S(=O)C

Isomeric SMILES

COC1=COC(=CC1=O)[N+]2=CC=C(C=C2)S(=O)C

InChI

InChI=1S/C12H12NO4S/c1-16-11-8-17-12(7-10(11)14)13-5-3-9(4-6-13)18(2)15/h3-8H,1-2H3/q+1