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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-pyridin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-pyridyl)methyl]pipecolinic acid Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCCC3C(=O)O

InChI

InChI=1S/C19H22N2O2S/c1-24-15-10-8-14(9-11-15)18(16-6-2-4-12-20-16)21-13-5-3-7-17(21)19(22)23/h2,4,6,8-12,17-18H,3,5,7,13H2,1H3,(H,22,23)