[1-(phenylmethyl)piperidin-1-ium-4-yl]-[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]azanide

Systemtic Name: [1-(phenylmethyl)piperidin-1-ium-4-yl]-[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]azanide Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[3-(2-thienylsulfonylamino)quinoxalin-2-yl]azanide CAS Name: [1-(phenylmethyl)-4-piperidin-1-iumyl]-[3-(thiophen-2-ylsulfonylamino)-2-quinoxalinyl]azanide IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[3-(thiophen-2-ylsulfonylamino)quinoxalin-2-yl]azanide Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[3-(2-thienylsulfonylamino)quinoxalin-2-yl]azanide Formula: C24H25N5O2S2 MolecularWeight: 479.6176

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[N-]C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[N-]C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N5O2S2/c30-33(31,22-11-6-16-32-22)28-24-23(26-20-9-4-5-10-21(20)27-24)25-19-12-14-29(15-13-19)17-18-7-2-1-3-8-18/h1-11,16,19H,12-15,17H2,(H-,25,26,27,28)/q-1/p+1