2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanesulfonate

Systemtic Name: 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanesulfonate Openeye Name: 2-(3-carbamoylpyridin-1-ium-1-yl)ethanesulfonate CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)ethanesulfonate IUPAC Name: 2-(3-carbamoylpyridin-1-ium-1-yl)ethanesulfonate Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)ethanesulfonate Formula: C8H10N2O4S MolecularWeight: 230.241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCS(=O)(=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CCS(=O)(=O)[O-])C(=O)N

InChI

InChI=1S/C8H10N2O4S/c9-8(11)7-2-1-3-10(6-7)4-5-15(12,13)14/h1-3,6H,4-5H2,(H2-,9,11,12,13,14)