N-[3-[3-(hydroxymethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[3-[3-(hydroxymethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-[3-(hydroxymethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[3-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[3-[3-(hydroxymethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-(3-methylolpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-(trifluoromethyl)benzenesulfonamide Formula: C21H16F3N4O3S+ MolecularWeight: 461.43695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)[N+]3=CC=CC(=C3)CO)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)[N+]3=CC=CC(=C3)CO)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N4O3S/c22-21(23,24)15-6-3-7-16(11-15)32(30,31)27-19-20(28-10-4-5-14(12-28)13-29)26-18-9-2-1-8-17(18)25-19/h1-12,29H,13H2,(H,25,27)/q+1