1-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(p-tolylthio)ethyl]nipecotic acid Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H21NO2S/c1-12-4-6-14(7-5-12)19-10-9-16-8-2-3-13(11-16)15(17)18/h4-7,13H,2-3,8-11H2,1H3,(H,17,18)