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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-pyridyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

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