1,3-bis(4-methoxyphenyl)-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis(4-methoxyphenyl)-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,3-bis(4-methoxyphenyl)-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate CAS Name: 1,3-bis(4-methoxyphenyl)-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,3-bis(4-methoxyphenyl)-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,3-bis(4-methoxyphenyl)-2-methyl-5,6-diphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium tosylate Formula: C39H36N4O5S MolecularWeight: 672.79194

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Descriptors Computed from Structure

Canonical SMILES:

CC1[NH+](C2=NC(=C(N=C2N1C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1[NH+](C2=NC(=C(N=C2N1C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C32H28N4O2.C7H8O3S/c1-22-35(25-14-18-27(37-2)19-15-25)31-32(36(22)26-16-20-28(38-3)21-17-26)34-30(24-12-8-5-9-13-24)29(33-31)23-10-6-4-7-11-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-22H,1-3H3;2-5H,1H3,(H,8,9,10)