1,3-diethyl-2,6,7-trimethyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-diethyl-2,6,7-trimethyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-diethyl-2,6,7-trimethyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate CAS Name: 1,3-diethyl-2,6,7-trimethyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-diethyl-2,6,7-trimethyl-2H-imidazo[4,5-b]quinoxalin-9-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-diethyl-2,6,7-trimethyl-2H-imidazo[4,5-b]quinoxalin-9-ium tosylate Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=NC3=C(C=C(C(=C3)C)C)[NH+]=C21)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C(N(C2=NC3=C(C=C(C(=C3)C)C)[NH+]=C21)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H22N4.C7H8O3S/c1-6-19-12(5)20(7-2)16-15(19)17-13-8-10(3)11(4)9-14(13)18-16;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,12H,6-7H2,1-5H3;2-5H,1H3,(H,8,9,10)