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

Systemtic Name: 2-[[2-(2-phenylethanoyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate Openeye Name: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate CAS Name: 2-[[2-(1-oxo-2-phenylethyl)-1-pyridin-1-iumyl]methyl]benzenesulfonate IUPAC Name: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate Traditional Name: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]besylate Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO4S/c22-19(14-16-8-2-1-3-9-16)18-11-6-7-13-21(18)15-17-10-4-5-12-20(17)26(23,24)25/h1-13H,14-15H2