1-[(4-methylsulfanylphenyl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-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=CN=CC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-24-16-9-7-14(8-10-16)18(15-5-4-11-20-13-15)21-12-3-2-6-17(21)19(22)23/h4-5,7-11,13,17-18H,2-3,6,12H2,1H3,(H,22,23)