3-(2,4-dimethylpyridin-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2,4-dimethylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(2,4-dimethylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(2,4-dimethyl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(2,4-dimethylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(2,4-dimethylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C10H16NO3S+ MolecularWeight: 230.30394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)CCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=[N+](C=C1)CCCS(=O)(=O)O)C

InChI

InChI=1S/C10H15NO3S/c1-9-4-6-11(10(2)8-9)5-3-7-15(12,13)14/h4,6,8H,3,5,7H2,1-2H3/p+1