1,3-diethyl-2-methyl-1,2-dihydroimidazo[4,5-b]quinoxalin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-diethyl-2-methyl-1,2-dihydroimidazo[4,5-b]quinoxalin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-diethyl-2-methyl-1,2-dihydroimidazo[4,5-b]quinoxalin-1-ium; 4-methylbenzenesulfonate CAS Name: 1,3-diethyl-2-methyl-1,2-dihydroimidazo[4,5-b]quinoxalin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-diethyl-2-methyl-1,2-dihydroimidazo[4,5-b]quinoxalin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-diethyl-2-methyl-1,2-dihydroimidazo[4,5-b]quinoxalin-1-ium tosylate Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(N(C2=NC3=CC=CC=C3N=C21)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+]1C(N(C2=NC3=CC=CC=C3N=C21)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18N4.C7H8O3S/c1-4-17-10(3)18(5-2)14-13(17)15-11-8-6-7-9-12(11)16-14;1-6-2-4-7(5-3-6)11(8,9)10/h6-10H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)