N-[2-[[(5-bromanylpyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[[(5-bromanylpyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[[(5-bromo-2-pyridin-1-iumyl)amino]methyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]phenyl]-4-methyl-benzenesulfonamide Formula: C19H19BrN3O2S+ MolecularWeight: 433.34206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=[NH+]C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=[NH+]C=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-14-6-9-17(10-7-14)26(24,25)23-18-5-3-2-4-15(18)12-21-19-11-8-16(20)13-22-19/h2-11,13,23H,12H2,1H3,(H,21,22)/p+1