3-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-(4-benzoylpyridin-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-benzoyl-1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(4-benzoylpyridin-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-benzoylpyridin-1-ium-1-yl)propane-1-sulfonic acid Formula: C15H16NO4S+ MolecularWeight: 306.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C15H15NO4S/c17-15(13-5-2-1-3-6-13)14-7-10-16(11-8-14)9-4-12-21(18,19)20/h1-3,5-8,10-11H,4,9,12H2/p+1