1-(phenylmethyl)-2-(phenylsulfonylmethyl)pyridin-1-ium bromide

Systemtic Name: 1-(phenylmethyl)-2-(phenylsulfonylmethyl)pyridin-1-ium bromide Openeye Name: 2-(benzenesulfonylmethyl)-1-benzyl-pyridin-1-ium bromide CAS Name: 2-(benzenesulfonylmethyl)-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 2-(benzenesulfonylmethyl)-1-benzylpyridin-1-ium bromide Traditional Name: 1-benzyl-2-(besylmethyl)pyridin-1-ium bromide Formula: C19H18BrNO2S MolecularWeight: 404.32072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18NO2S.BrH/c21-23(22,19-12-5-2-6-13-19)16-18-11-7-8-14-20(18)15-17-9-3-1-4-10-17;/h1-14H,15-16H2;1H/q+1;/p-1