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

Systemtic Name: 1-methyl-5-sulfanyl-pyridin-1-ium-2-carboxylate Openeye Name: 1-methyl-5-sulfanyl-pyridin-1-ium-2-carboxylate CAS Name: 5-mercapto-1-methyl-2-pyridin-1-iumcarboxylate IUPAC Name: 1-methyl-5-sulfanylpyridin-1-ium-2-carboxylate Traditional Name: 5-mercapto-1-methyl-pyridin-1-ium-2-carboxylate Formula: C7H7NO2S MolecularWeight: 169.20098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2S/c1-8-4-5(11)2-3-6(8)7(9)10/h2-4H,1H3,(H-,9,10,11)