4-(methylsulfonylmethyl)-1-(phenylmethyl)pyridin-1-ium bromide

Systemtic Name: 4-(methylsulfonylmethyl)-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-4-(methylsulfonylmethyl)pyridin-1-ium bromide CAS Name: 4-(methylsulfonylmethyl)-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-4-(methylsulfonylmethyl)pyridin-1-ium bromide Traditional Name: 1-benzyl-4-(mesylmethyl)pyridin-1-ium bromide Formula: C14H16BrNO2S MolecularWeight: 342.25134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=[N+](C=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CS(=O)(=O)CC1=CC=[N+](C=C1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H16NO2S.BrH/c1-18(16,17)12-14-7-9-15(10-8-14)11-13-5-3-2-4-6-13;/h2-10H,11-12H2,1H3;1H/q+1;/p-1