1-(2-oxidanyl-3-sulfo-propyl)pyridin-1-ium-4-carboxylic acid

Systemtic Name: 1-(2-oxidanyl-3-sulfo-propyl)pyridin-1-ium-4-carboxylic acid Openeye Name: 1-(2-hydroxy-3-sulfo-propyl)pyridin-1-ium-4-carboxylic acid CAS Name: 1-(2-hydroxy-3-sulfopropyl)-4-pyridin-1-iumcarboxylic acid IUPAC Name: 1-(2-hydroxy-3-sulfopropyl)pyridin-1-ium-4-carboxylic acid Traditional Name: 1-(2-hydroxy-3-sulfo-propyl)pyridin-1-ium-4-carboxylic acid Formula: C9H12NO6S+ MolecularWeight: 262.25968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO6S/c11-8(6-17(14,15)16)5-10-3-1-7(2-4-10)9(12)13/h1-4,8,11H,5-6H2,(H-,12,13,14,15,16)/p+1