2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-3-pyridinecarboxylate IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)nicotinate Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](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)