N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-[4-(4-dimethylaminophenyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C27H23N6O4S+ MolecularWeight: 527.57432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N6O4S/c1-31(2)21-12-10-19(11-13-21)20-14-16-32(17-15-20)27-26(28-24-8-3-4-9-25(24)29-27)30-38(36,37)23-7-5-6-22(18-23)33(34)35/h3-18H,1-2H3,(H,28,30)/q+1