2-pyridin-1-ium-4-ylethanesulfonic acid

Systemtic Name: 2-pyridin-1-ium-4-ylethanesulfonic acid Openeye Name: 2-pyridin-1-ium-4-ylethanesulfonic acid CAS Name: 2-(4-pyridin-1-iumyl)ethanesulfonic acid IUPAC Name: 2-pyridin-1-ium-4-ylethanesulfonic acid Traditional Name: 2-pyridin-1-ium-4-ylethanesulfonic acid Formula: C7H10NO3S+ MolecularWeight: 188.2242

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1CCS(=O)(=O)O

Isomeric SMILES

C1=C[NH+]=CC=C1CCS(=O)(=O)O

InChI

InChI=1S/C7H9NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h1-2,4-5H,3,6H2,(H,9,10,11)/p+1