[3-[3-(3-methylbutyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]-(4-methylphenyl)sulfonyl-azanide

Systemtic Name: [3-[3-(3-methylbutyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]-(4-methylphenyl)sulfonyl-azanide Openeye Name: [3-(3-isopentylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: [3-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-2-quinoxalinyl]-(4-methylphenyl)sulfonylazanide IUPAC Name: [3-[3-(3-methylbutyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]-(4-methylphenyl)sulfonylazanide Traditional Name: [3-(3-isoamylimidazol-3-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CCC(C)C

InChI

InChI=1S/C23H25N5O2S/c1-17(2)12-13-27-14-15-28(16-27)23-22(24-20-6-4-5-7-21(20)25-23)26-31(29,30)19-10-8-18(3)9-11-19/h4-11,14-17H,12-13H2,1-3H3