1,3-diethyl-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-diethyl-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-diethyl-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate CAS Name: 1,3-diethyl-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-diethyl-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-diethyl-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium tosylate Formula: C29H32N4O3S MolecularWeight: 516.65438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(N(C2=NC(=C(N=C21)C3=CC=CC=C3)C4=CC=CC=C4)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+]1C(N(C2=NC(=C(N=C21)C3=CC=CC=C3)C4=CC=CC=C4)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H24N4.C7H8O3S/c1-4-25-16(3)26(5-2)22-21(25)23-19(17-12-8-6-9-13-17)20(24-22)18-14-10-7-11-15-18;1-6-2-4-7(5-3-6)11(8,9)10/h6-16H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)