4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Openeye Name: 4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide CAS Name: 4-[(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)methyl]benzenesulfonamide IUPAC Name: 4-[(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)methyl]benzenesulfonamide Traditional Name: 4-[(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)methyl]benzenesulfonamide Formula: C20H21N2O2S+ MolecularWeight: 353.45794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC2=CC=C(C=C2)S(=O)(=O)N)C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N2O2S/c1-15-12-19(18-6-4-3-5-7-18)13-16(2)22(15)14-17-8-10-20(11-9-17)25(21,23)24/h3-13H,14H2,1-2H3,(H2,21,23,24)/q+1