1-methyl-4-(phenylsulfonylmethyl)pyridin-1-ium iodide

Systemtic Name: 1-methyl-4-(phenylsulfonylmethyl)pyridin-1-ium iodide Openeye Name: 4-(benzenesulfonylmethyl)-1-methyl-pyridin-1-ium iodide CAS Name: 4-(benzenesulfonylmethyl)-1-methylpyridin-1-ium iodide IUPAC Name: 4-(benzenesulfonylmethyl)-1-methylpyridin-1-ium iodide Traditional Name: 4-(besylmethyl)-1-methyl-pyridin-1-ium iodide Formula: C13H14INO2S MolecularWeight: 375.22523

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C13H14NO2S.HI/c1-14-9-7-12(8-10-14)11-17(15,16)13-5-3-2-4-6-13;/h2-10H,11H2,1H3;1H/q+1;/p-1