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

Systemtic Name: 5-methoxy-2-(4-methylsulfanylpyridin-1-ium-1-yl)pyran-4-one chloride Openeye Name: 5-methoxy-2-(4-methylsulfanylpyridin-1-ium-1-yl)pyran-4-one chloride CAS Name: 5-methoxy-2-[4-(methylthio)-1-pyridin-1-iumyl]-4-pyranone chloride IUPAC Name: 5-methoxy-2-(4-methylsulfanylpyridin-1-ium-1-yl)pyran-4-one chloride Traditional Name: 5-methoxy-2-[4-(methylthio)pyridin-1-ium-1-yl]pyran-4-one chloride Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=COC(=CC1=O)[N+]2=CC=C(C=C2)SC.[Cl-]

Isomeric SMILES

COC1=COC(=CC1=O)[N+]2=CC=C(C=C2)SC.[Cl-]

InChI

InChI=1S/C12H12NO3S.ClH/c1-15-11-8-16-12(7-10(11)14)13-5-3-9(17-2)4-6-13;/h3-8H,1-2H3;1H/q+1;/p-1