N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]quinoxalin-2-yl]benzenesulfonamide Formula: C24H25N6O3S+ MolecularWeight: 477.5587

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O3S/c31-34(32,19-6-2-1-3-7-19)29-24-23(27-20-8-4-5-9-21(20)28-24)26-17-18-10-11-22(25-16-18)30-12-14-33-15-13-30/h1-11,16H,12-15,17H2,(H,26,27)(H,28,29)/p+1