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

Systemtic Name: 4-chloranyl-N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3,5-dimethyl-1-pyridin-1-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C21H18ClN4O2S+ MolecularWeight: 425.91122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H18ClN4O2S/c1-14-11-15(2)13-26(12-14)21-20(23-18-5-3-4-6-19(18)24-21)25-29(27,28)17-9-7-16(22)8-10-17/h3-13H,1-2H3,(H,23,25)/q+1