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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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