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

Systemtic Name: 4-methyl-N-[3-(4-pyridin-4-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-[4-(4-pyridyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-methyl-N-[3-(4-pyridin-4-yl-1-pyridin-1-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-(4-pyridin-4-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-[4-(4-pyridyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Formula: C25H20N5O2S+ MolecularWeight: 454.5236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H20N5O2S/c1-18-6-8-21(9-7-18)33(31,32)29-24-25(28-23-5-3-2-4-22(23)27-24)30-16-12-20(13-17-30)19-10-14-26-15-11-19/h2-17H,1H3,(H,27,29)/q+1