4-methyl-N-[2-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[[(6-methyl-2-pyridin-1-iumyl)amino]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]phenyl]benzenesulfonamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=CC=CC(=[NH+]3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CNC3=CC=CC(=[NH+]3)C

InChI

InChI=1S/C20H21N3O2S/c1-15-10-12-18(13-11-15)26(24,25)23-19-8-4-3-7-17(19)14-21-20-9-5-6-16(2)22-20/h3-13,23H,14H2,1-2H3,(H,21,22)/p+1