3-(1-methylpyridin-1-ium-2-yl)-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-(1-methylpyridin-1-ium-2-yl)-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-(1-methylpyridin-1-ium-2-yl)-3-oxo-propane-1-sulfonic acid CAS Name: 3-(1-methyl-2-pyridin-1-iumyl)-3-oxo-1-propanesulfonic acid IUPAC Name: 3-(1-methylpyridin-1-ium-2-yl)-3-oxopropane-1-sulfonic acid Traditional Name: 3-keto-3-(1-methylpyridin-1-ium-2-yl)propane-1-sulfonic acid Formula: C9H12NO4S+ MolecularWeight: 230.26088

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=O)CCS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=CC=C1C(=O)CCS(=O)(=O)O

InChI

InChI=1S/C9H11NO4S/c1-10-6-3-2-4-8(10)9(11)5-7-15(12,13)14/h2-4,6H,5,7H2,1H3/p+1