methyl 1-methyl-3-sulfanyl-pyridin-1-ium-2-carboxylate

Systemtic Name: methyl 1-methyl-3-sulfanyl-pyridin-1-ium-2-carboxylate Openeye Name: methyl 1-methyl-3-sulfanyl-pyridin-1-ium-2-carboxylate CAS Name: 3-mercapto-1-methyl-2-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-3-sulfanylpyridin-1-ium-2-carboxylate Traditional Name: 3-mercapto-1-methyl-pyridin-1-ium-2-carboxylic acid methyl ester Formula: C8H10NO2S+ MolecularWeight: 184.2355

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1C(=O)OC)S

Isomeric SMILES

C[N+]1=CC=CC(=C1C(=O)OC)S

InChI

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