ethyl (3S)-1-[2-(4-methylphenyl)sulfanylethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-methylphenyl)sulfanylethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(p-tolylsulfanyl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(4-methylphenyl)thio]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methylphenyl)sulfanylethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(p-tolylthio)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H26NO2S+ MolecularWeight: 308.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C17H25NO2S/c1-3-20-17(19)15-5-4-10-18(13-15)11-12-21-16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3/p+1/t15-/m0/s1