2-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-(2-carboxyethyl)-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(2-carboxyethyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CCS(=O)(=O)[O-])CCC(=O)O

Isomeric SMILES

C1=C[N+](=CC=C1CCS(=O)(=O)[O-])CCC(=O)O

InChI

InChI=1S/C10H13NO5S/c12-10(13)3-7-11-5-1-9(2-6-11)4-8-17(14,15)16/h1-2,5-6H,3-4,7-8H2,(H-,12,13,14,15,16)