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

Systemtic Name: methyl 1-methyl-5-methylsulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-methyl-5-methylsulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 1-methyl-5-(methylthio)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-methylsulfanylpyridin-1-ium-3-carboxylate Traditional Name: 1-methyl-5-(methylthio)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C9H12NO2S+ MolecularWeight: 198.26208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO2S/c1-10-5-7(9(11)12-2)4-8(6-10)13-3/h4-6H,1-3H3/q+1