4-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H21ClN5O+ MolecularWeight: 406.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O/c23-21-20(15-25-28(22(21)29)19-4-2-1-3-5-19)27-12-10-26(11-13-27)16-18-8-6-17(14-24)7-9-18/h1-9,15H,10-13,16H2/p+1