1-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-(methylthio)benzyl]pipecolinic acid Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCCC2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCCCC2C(=O)O

InChI

InChI=1S/C14H19NO2S/c1-18-12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)