1-methyl-5-methylsulfanyl-pyridin-1-ium-2-carboxylate

Systemtic Name: 1-methyl-5-methylsulfanyl-pyridin-1-ium-2-carboxylate Openeye Name: 1-methyl-5-methylsulfanyl-pyridin-1-ium-2-carboxylate CAS Name: 1-methyl-5-(methylthio)-2-pyridin-1-iumcarboxylate IUPAC Name: 1-methyl-5-methylsulfanylpyridin-1-ium-2-carboxylate Traditional Name: 1-methyl-5-(methylthio)pyridin-1-ium-2-carboxylate Formula: C8H9NO2S MolecularWeight: 183.22756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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