3-(4-methanoylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-methanoylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-formylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-formyl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(4-formylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-formylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C9H12NO4S+ MolecularWeight: 230.26088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S/c11-8-9-2-5-10(6-3-9)4-1-7-15(12,13)14/h2-3,5-6,8H,1,4,7H2/p+1