2-[2-(dimethylazaniumyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[2-(dimethylammonio)ethylthio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[2-(dimethylammonio)ethylthio]nicotinate Formula: C10H14N2O2S MolecularWeight: 226.29536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C10H14N2O2S/c1-12(2)6-7-15-9-8(10(13)14)4-3-5-11-9/h3-5H,6-7H2,1-2H3,(H,13,14)