1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(methylthio)benzyl]isonipecotic acid Formula: C14H19NO2S MolecularWeight: 265.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H19NO2S/c1-18-13-4-2-11(3-5-13)10-15-8-6-12(7-9-15)14(16)17/h2-5,12H,6-10H2,1H3,(H,16,17)