3-(3-methanoylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 3-(3-methanoylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 3-(3-formyl-1-pyridin-1-iumyl)-1-propanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate Formula: C14H23N2O6S+ MolecularWeight: 347.40722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4S.C5H11NO2/c11-8-9-3-1-4-10(7-9)5-2-6-15(12,13)14;1-6(2,3)4-5(7)8/h1,3-4,7-8H,2,5-6H2;4H2,1-3H3/p+1