3-(3-aminocarbonylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(3-aminocarbonylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(3-carbamoyl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(3-carbamoylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C9H12N2O4S MolecularWeight: 244.26758

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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)