7-methyl-9,10-diphenyl-pyridazino[1,6-a]perimidin-12-ium; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 7-methyl-9,10-diphenyl-pyridazino[1,6-a]perimidin-12-ium; 2,4,6-trimethylbenzenesulfonate Openeye Name: 7-methyl-9,10-diphenyl-pyridazino[1,6-a]perimidin-12-ium; 2,4,6-trimethylbenzenesulfonate CAS Name: 7-methyl-9,10-diphenylpyridazino[1,6-a]perimidin-12-ium; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 7-methyl-9,10-diphenylpyridazino[1,6-a]perimidin-12-ium; 2,4,6-trimethylbenzenesulfonate Traditional Name: 7-methyl-9,10-diphenyl-pyridazino[1,6-a]perimidin-12-ium; 2,4,6-trimethylbesylate Formula: C36H31N3O3S MolecularWeight: 585.71464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CN1C2=CC=CC3=C2C(=CC=C3)[N+]4=C1C=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CN1C2=CC=CC3=C2C(=CC=C3)[N+]4=C1C=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H20N3.C9H12O3S/c1-29-23-16-8-14-20-15-9-17-24(26(20)23)30-25(29)18-22(19-10-4-2-5-11-19)27(28-30)21-12-6-3-7-13-21;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-18H,1H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1