2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]ethanesulfonate

Systemtic Name: 2-[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]ethanesulfonate Openeye Name: 2-[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-2-yl]ethanesulfonate CAS Name: 2-[1-(2-amino-2-oxoethyl)-2-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(2-amino-2-oxoethyl)pyridin-1-ium-2-yl]ethanesulfonate Traditional Name: 2-[1-(2-amino-2-keto-ethyl)pyridin-1-ium-2-yl]ethanesulfonate Formula: C9H12N2O4S MolecularWeight: 244.26758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4S/c10-9(12)7-11-5-2-1-3-8(11)4-6-16(13,14)15/h1-3,5H,4,6-7H2,(H2-,10,12,13,14,15)