phenylsulfonyl-[3-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: phenylsulfonyl-[3-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: benzenesulfonyl-[3-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide CAS Name: benzenesulfonyl-[3-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]azanide IUPAC Name: benzenesulfonyl-[3-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide Traditional Name: besyl-[3-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide Formula: C24H24N6O2S MolecularWeight: 460.55136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H23N6O2S/c31-33(32,20-8-2-1-3-9-20)28-23-24(27-22-11-5-4-10-21(22)26-23)30-15-13-29(14-16-30)18-19-7-6-12-25-17-19/h1-12,17H,13-16,18H2/q-1/p+1