1-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(p-tolylthio)ethyl]isonipecotic acid Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H21NO2S/c1-12-2-4-14(5-3-12)19-11-10-16-8-6-13(7-9-16)15(17)18/h2-5,13H,6-11H2,1H3,(H,17,18)