2-[[2-(4-chlorophenyl)carbonylpyridin-1-ium-1-yl]methyl]benzenesulfonate

Systemtic Name: 2-[[2-(4-chlorophenyl)carbonylpyridin-1-ium-1-yl]methyl]benzenesulfonate Openeye Name: 2-[[2-(4-chlorobenzoyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate CAS Name: 2-[[2-[(4-chlorophenyl)-oxomethyl]-1-pyridin-1-iumyl]methyl]benzenesulfonate IUPAC Name: 2-[[2-(4-chlorobenzoyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate Traditional Name: 2-[[2-(4-chlorobenzoyl)pyridin-1-ium-1-yl]methyl]besylate Formula: C19H14ClNO4S MolecularWeight: 387.83676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C19H14ClNO4S/c20-16-10-8-14(9-11-16)19(22)17-6-3-4-12-21(17)13-15-5-1-2-7-18(15)26(23,24)25/h1-12H,13H2