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

Systemtic Name: methyl 6-methylsulfanyl-1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-2-carboxylate Openeye Name: methyl 1-benzyl-6-methylsulfanyl-2,3,4,5-tetrahydropyridin-1-ium-2-carboxylate CAS Name: 6-(methylthio)-1-(phenylmethyl)-2,3,4,5-tetrahydropyridin-1-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-6-methylsulfanyl-2,3,4,5-tetrahydropyridin-1-ium-2-carboxylate Traditional Name: 1-benzyl-6-(methylthio)-2,3,4,5-tetrahydropyridin-1-ium-2-carboxylic acid methyl ester Formula: C15H20NO2S+ MolecularWeight: 278.3898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC(=[N+]1CC2=CC=CC=C2)SC

Isomeric SMILES

COC(=O)C1CCCC(=[N+]1CC2=CC=CC=C2)SC

InChI

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