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

Systemtic Name: 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-fluorophenyl)thio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-fluorophenyl)thio]ethyl]nipecotic acid Formula: C14H18FNO2S MolecularWeight: 283.361623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSC2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCSC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C14H18FNO2S/c15-12-3-5-13(6-4-12)19-9-8-16-7-1-2-11(10-16)14(17)18/h3-6,11H,1-2,7-10H2,(H,17,18)