2-[[2-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate

Systemtic Name: 2-[[2-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate Openeye Name: 2-[(2-benzoylpyridin-1-ium-1-yl)methyl]benzenesulfonate CAS Name: 2-[(2-benzoyl-1-pyridin-1-iumyl)methyl]benzenesulfonate IUPAC Name: 2-[(2-benzoylpyridin-1-ium-1-yl)methyl]benzenesulfonate Traditional Name: 2-[(2-benzoylpyridin-1-ium-1-yl)methyl]besylate Formula: C19H15NO4S MolecularWeight: 353.3917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=[N+]2CC3=CC=CC=C3S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=[N+]2CC3=CC=CC=C3S(=O)(=O)[O-]

InChI

InChI=1S/C19H15NO4S/c21-19(15-8-2-1-3-9-15)17-11-6-7-13-20(17)14-16-10-4-5-12-18(16)25(22,23)24/h1-13H,14H2