4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-imidazo[4,5-b]quinoxalin-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-imidazo[4,5-b]quinoxalin-3-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-imidazo[4,5-b]quinoxalin-3-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenylimidazo[4,5-b]quinoxalin-3-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenylimidazo[4,5-b]quinoxalin-3-ium Traditional Name: 2-methyl-1,3-diphenyl-imidazo[4,5-b]quinoxalin-3-ium tosylate Formula: C29H24N4O3S MolecularWeight: 508.59086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=NC3=CC=CC=C3N=C2N1C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=NC3=CC=CC=C3N=C2N1C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N4.C7H8O3S/c1-16-25(17-10-4-2-5-11-17)21-22(26(16)18-12-6-3-7-13-18)24-20-15-9-8-14-19(20)23-21;1-6-2-4-7(5-3-6)11(8,9)10/h2-15H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1