1-methyl-5-methylsulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 1-methyl-5-methylsulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: 1-methyl-5-methylsulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 1-methyl-5-(methylthio)-3-pyridin-1-iumcarboxylate IUPAC Name: 1-methyl-5-methylsulfanylpyridin-1-ium-3-carboxylate Traditional Name: 1-methyl-5-(methylthio)pyridin-1-ium-3-carboxylate Formula: C8H9NO2S MolecularWeight: 183.22756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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