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

Systemtic Name: 3-(3-aminocarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate CAS Name: 3-(3-carbamoyl-1-pyridin-1-iumyl)-1-propanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonic acid; 2-(trimethylammonio)acetate Formula: C14H24N3O6S+ MolecularWeight: 362.42186

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4S.C5H11NO2/c10-9(12)8-3-1-4-11(7-8)5-2-6-16(13,14)15;1-6(2,3)4-5(7)8/h1,3-4,7H,2,5-6H2,(H2-,10,12,13,14,15);4H2,1-3H3/p+1