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

Systemtic Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[4-(4-dimethylaminophenyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[4-(4-dimethylaminophenyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Formula: C27H24N5O2S+ MolecularWeight: 482.57676

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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

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

InChI

InChI=1S/C27H24N5O2S/c1-31(2)22-14-12-20(13-15-22)21-16-18-32(19-17-21)27-26(28-24-10-6-7-11-25(24)29-27)30-35(33,34)23-8-4-3-5-9-23/h3-19H,1-2H3,(H,28,30)/q+1