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

Systemtic Name: 3-(3-ethanoylpyridin-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(3-acetylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(3-acetyl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(3-acetylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-acetylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C10H14NO4S+ MolecularWeight: 244.28746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S/c1-9(12)10-4-2-5-11(8-10)6-3-7-16(13,14)15/h2,4-5,8H,3,6-7H2,1H3/p+1