2,5-dimethyl-3-phenyl-pyridazino[1,6-a]benzimidazol-10-ium; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2,5-dimethyl-3-phenyl-pyridazino[1,6-a]benzimidazol-10-ium; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2,5-dimethyl-3-phenyl-pyridazino[1,6-a]benzimidazol-10-ium; 2,4,6-trimethylbenzenesulfonate CAS Name: 2,5-dimethyl-3-phenylpyridazino[1,6-a]benzimidazol-10-ium; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2,5-dimethyl-3-phenylpyridazino[1,6-a]benzimidazol-10-ium; 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,5-dimethyl-3-phenyl-pyridazino[1,6-a]benzimidazol-10-ium; 2,4,6-trimethylbesylate Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=N[N+]2=C(C=C1C3=CC=CC=C3)N(C4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=N[N+]2=C(C=C1C3=CC=CC=C3)N(C4=CC=CC=C42)C

InChI

InChI=1S/C18H16N3.C9H12O3S/c1-13-15(14-8-4-3-5-9-14)12-18-20(2)16-10-6-7-11-17(16)21(18)19-13;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h3-12H,1-2H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1