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

Systemtic Name: 4-chloranyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(4-pyridin-1-ium-2-ylpiperazino)quinoxalin-2-yl]benzenesulfonamide Formula: C23H22ClN6O2S+ MolecularWeight: 481.97778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H21ClN6O2S/c24-17-8-10-18(11-9-17)33(31,32)28-22-23(27-20-6-2-1-5-19(20)26-22)30-15-13-29(14-16-30)21-7-3-4-12-25-21/h1-12H,13-16H2,(H,26,28)/p+1