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

Systemtic Name: 1,3-dicyclohexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-dicyclohexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate CAS Name: 1,3-dicyclohexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-dicyclohexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-dicyclohexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium tosylate Formula: C29H38N4O3S MolecularWeight: 522.70202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=[NH+]C3=CC=CC=C3N=C2N1C4CCCCC4)C5CCCCC5.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=[NH+]C3=CC=CC=C3N=C2N1C4CCCCC4)C5CCCCC5.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H30N4.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/h8-9,14-18H,2-7,10-13H2,1H3;2-5H,1H3,(H,8,9,10)