methyl 6-methylsulfanyl-1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-3-carboxylate iodide

Systemtic Name: methyl 6-methylsulfanyl-1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-3-carboxylate iodide Openeye Name: methyl 1-benzyl-6-methylsulfanyl-2,3,4,5-tetrahydropyridin-1-ium-3-carboxylate iodide CAS Name: 6-(methylthio)-1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-3-carboxylic acid methyl ester iodide IUPAC Name: methyl 1-benzyl-6-methylsulfanyl-2,3,4,5-tetrahydropyridin-1-ium-3-carboxylate iodide Traditional Name: 1-benzyl-6-(methylthio)-2,3,4,5-tetrahydropyridin-1-ium-3-carboxylic acid methyl ester iodide Formula: C15H20INO2S MolecularWeight: 405.29427

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=[N+](C1)CC2=CC=CC=C2)SC.[I-]

Isomeric SMILES

COC(=O)C1CCC(=[N+](C1)CC2=CC=CC=C2)SC.[I-]

InChI

InChI=1S/C15H20NO2S.HI/c1-18-15(17)13-8-9-14(19-2)16(11-13)10-12-6-4-3-5-7-12;/h3-7,13H,8-11H2,1-2H3;1H/q+1;/p-1