3-[3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-[dimethylamino(oxo)methyl]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-(dimethylcarbamoyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C11H17N2O4S+ MolecularWeight: 273.32868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O4S/c1-12(2)11(14)10-5-3-6-13(9-10)7-4-8-18(15,16)17/h3,5-6,9H,4,7-8H2,1-2H3/p+1