2-[5-(4-butoxyphenyl)-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[5-(4-butoxyphenyl)-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl]ethyl-dimethyl-azanium chloride Openeye Name: 2-[5-(4-butoxyphenyl)-6-oxo-3,4-diphenyl-pyridazin-1-yl]ethyl-dimethyl-ammonium chloride CAS Name: 2-[5-(4-butoxyphenyl)-6-oxo-3,4-diphenyl-1-pyridazinyl]ethyl-dimethylammonium chloride IUPAC Name: 2-[5-(4-butoxyphenyl)-6-oxo-3,4-diphenylpyridazin-1-yl]ethyl-dimethylazanium chloride Traditional Name: 2-[5-(4-butoxyphenyl)-6-keto-3,4-diphenyl-pyridazin-1-yl]ethyl-dimethyl-ammonium chloride Formula: C30H34ClN3O2 MolecularWeight: 504.06286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=NN(C2=O)CC[NH+](C)C)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=NN(C2=O)CC[NH+](C)C)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H33N3O2.ClH/c1-4-5-22-35-26-18-16-24(17-19-26)28-27(23-12-8-6-9-13-23)29(25-14-10-7-11-15-25)31-33(30(28)34)21-20-32(2)3;/h6-19H,4-5,20-22H2,1-3H3;1H