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

Systemtic Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-2,5-dimethyl-benzenesulfonamide Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N4O2S/c1-15-9-10-18(4)21(12-15)30(28,29)26-22-23(27-13-16(2)11-17(3)14-27)25-20-8-6-5-7-19(20)24-22/h5-14H,1-4H3,(H,24,26)/q+1