2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-[2-(1-piperidyl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(1-piperidinyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-piperidinoethylthio)nicotinic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H18N2O2S/c16-13(17)11-5-4-6-14-12(11)18-10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2,(H,16,17)