1-methyl-2-methylsulfanyl-pyridin-1-ium-4-carboxylate

Systemtic Name: 1-methyl-2-methylsulfanyl-pyridin-1-ium-4-carboxylate Openeye Name: 1-methyl-2-methylsulfanyl-pyridin-1-ium-4-carboxylate CAS Name: 1-methyl-2-(methylthio)-4-pyridin-1-iumcarboxylate IUPAC Name: 1-methyl-2-methylsulfanylpyridin-1-ium-4-carboxylate Traditional Name: 1-methyl-2-(methylthio)pyridin-1-ium-4-carboxylate Formula: C8H9NO2S MolecularWeight: 183.22756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1)C(=O)[O-])SC

Isomeric SMILES

C[N+]1=C(C=C(C=C1)C(=O)[O-])SC

InChI

InChI=1S/C8H9NO2S/c1-9-4-3-6(8(10)11)5-7(9)12-2/h3-5H,1-2H3