methyl 1-methyl-2-methylsulfanyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: methyl 1-methyl-2-methylsulfanyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: methyl 1-methyl-2-methylsulfanyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-2-(methylthio)-3-pyridin-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-methyl-2-methylsulfanylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methyl-2-(methylthio)pyridin-1-ium-3-carboxylic acid methyl ester iodide Formula: C9H12INO2S MolecularWeight: 325.16655

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1SC)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1SC)C(=O)OC.[I-]

InChI

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