1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(methylthio)benzyl]nipecotic acid Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H19NO2S/c1-18-13-6-4-11(5-7-13)9-15-8-2-3-12(10-15)14(16)17/h4-7,12H,2-3,8-10H2,1H3,(H,16,17)