N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2[N+]4=CC(=CC(=C4)C)C

InChI

InChI=1S/C22H21N4O2S/c1-15-8-10-18(11-9-15)29(27,28)25-21-22(26-13-16(2)12-17(3)14-26)24-20-7-5-4-6-19(20)23-21/h4-14H,1-3H3,(H,23,25)/q+1