4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-9-ium

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-9-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-9-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-9-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-9-ium Traditional Name: 2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-9-ium tosylate Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=[NH+]C3=CC=CC=C3N=C2N1C4=CC=CC=C4)C5=CC=CC=C5.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=[NH+]C3=CC=CC=C3N=C2N1C4=CC=CC=C4)C5=CC=CC=C5.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H18N4.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/h2-16H,1H3;2-5H,1H3,(H,8,9,10)