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

Systemtic Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-3-pyridinecarboxylate IUPAC Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2-pyrrolidin-1-ium-1-ylethylthio)nicotinate Formula: C12H16N2O2S MolecularWeight: 252.33264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O2S/c15-12(16)10-4-3-5-13-11(10)17-9-8-14-6-1-2-7-14/h3-5H,1-2,6-9H2,(H,15,16)