1-methyl-4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium bromide

Systemtic Name: 1-methyl-4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium bromide Openeye Name: 1-methyl-4-[2-(p-tolylsulfonyl)ethyl]pyridin-1-ium bromide CAS Name: 1-methyl-4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium bromide IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium bromide Traditional Name: 1-methyl-4-(2-tosylethyl)pyridin-1-ium bromide Formula: C15H18BrNO2S MolecularWeight: 356.27792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=[N+](C=C2)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=[N+](C=C2)C.[Br-]

InChI

InChI=1S/C15H18NO2S.BrH/c1-13-3-5-15(6-4-13)19(17,18)12-9-14-7-10-16(2)11-8-14;/h3-8,10-11H,9,12H2,1-2H3;1H/q+1;/p-1