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

Systemtic Name: 5-methoxy-2-(4-methylsulfanylpyridin-1-ium-1-yl)pyran-4-one Openeye Name: 5-methoxy-2-(4-methylsulfanylpyridin-1-ium-1-yl)pyran-4-one CAS Name: 5-methoxy-2-[4-(methylthio)-1-pyridin-1-iumyl]-4-pyranone IUPAC Name: 5-methoxy-2-(4-methylsulfanylpyridin-1-ium-1-yl)pyran-4-one Traditional Name: 5-methoxy-2-[4-(methylthio)pyridin-1-ium-1-yl]pyran-4-one Formula: C12H12NO3S+ MolecularWeight: 250.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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