3-(3-aminocarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-aminocarbonylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-carbamoyl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C9H13N2O4S+ MolecularWeight: 245.27552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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