4-methyl-N-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-allylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-(3-prop-2-enyl-1-imidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-allylimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C21H20N5O2S+ MolecularWeight: 406.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC=C

InChI

InChI=1S/C21H20N5O2S/c1-3-12-25-13-14-26(15-25)21-20(22-18-6-4-5-7-19(18)23-21)24-29(27,28)17-10-8-16(2)9-11-17/h3-11,13-15H,1,12H2,2H3,(H,22,24)/q+1