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

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-1,3,5,6-tetraphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium Openeye Name: 4-methylbenzenesulfonate; 2-methyl-1,3,5,6-tetraphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium CAS Name: 4-methylbenzenesulfonate; 2-methyl-1,3,5,6-tetraphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-1,3,5,6-tetraphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium Traditional Name: 2-methyl-1,3,5,6-tetraphenyl-1,2-dihydroimidazo[4,5-b]pyrazin-1-ium tosylate Formula: C37H32N4O3S MolecularWeight: 612.73998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24N4.C7H8O3S/c1-22-33(25-18-10-4-11-19-25)29-30(34(22)26-20-12-5-13-21-26)32-28(24-16-8-3-9-17-24)27(31-29)23-14-6-2-7-15-23;1-6-2-4-7(5-3-6)11(8,9)10/h2-22H,1H3;2-5H,1H3,(H,8,9,10)