2-(piperidin-4-ylmethylsulfanyl)cyclopentene-1-carboxylic acid

Systemtic Name: 2-(piperidin-4-ylmethylsulfanyl)cyclopentene-1-carboxylic acid Openeye Name: 2-(4-piperidylmethylsulfanyl)cyclopentene-1-carboxylic acid CAS Name: 2-(4-piperidinylmethylthio)-1-cyclopentenecarboxylic acid IUPAC Name: 2-(piperidin-4-ylmethylsulfanyl)cyclopentene-1-carboxylic acid Traditional Name: 2-(4-piperidylmethylthio)cyclopentene-1-carboxylic acid Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)SCC2CCNCC2)C(=O)O

Isomeric SMILES

C1CC(=C(C1)SCC2CCNCC2)C(=O)O

InChI

InChI=1S/C12H19NO2S/c14-12(15)10-2-1-3-11(10)16-8-9-4-6-13-7-5-9/h9,13H,1-8H2,(H,14,15)