2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(1-methyl-2-piperidyl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(1-methyl-2-piperidinyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(1-methyl-2-piperidyl)ethylthio]nicotinic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CN1CCCCC1CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H20N2O2S/c1-16-9-3-2-5-11(16)7-10-19-13-12(14(17)18)6-4-8-15-13/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,17,18)