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

Systemtic Name: 1,3-dihexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-dihexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate CAS Name: 1,3-dihexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-dihexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-dihexyl-2-methyl-2H-imidazo[4,5-b]quinoxalin-9-ium tosylate Formula: C29H42N4O3S MolecularWeight: 526.73378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(N(C2=NC3=CC=CC=C3[NH+]=C21)CCCCCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCN1C(N(C2=NC3=CC=CC=C3[NH+]=C21)CCCCCC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H34N4.C7H8O3S/c1-4-6-8-12-16-25-18(3)26(17-13-9-7-5-2)22-21(25)23-19-14-10-11-15-20(19)24-22;1-6-2-4-7(5-3-6)11(8,9)10/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3;2-5H,1H3,(H,8,9,10)