1-(2-sulfoethyl)pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-(2-sulfoethyl)pyridin-1-ium-4-carboxylic acid Openeye Name: 1-(2-sulfoethyl)pyridin-1-ium-4-carboxylic acid CAS Name: 1-(2-sulfoethyl)-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-(2-sulfoethyl)pyridin-1-ium-4-carboxylic acid Traditional Name: 1-(2-sulfoethyl)pyridin-1-ium-4-carboxylic acid Formula: C8H10NO5S+ MolecularWeight: 232.2337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C8H9NO5S/c10-8(11)7-1-3-9(4-2-7)5-6-15(12,13)14/h1-4H,5-6H2,(H-,10,11,12,13,14)/p+1