2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C24H22ClN6O+ MolecularWeight: 445.92408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C24H21ClN6O/c25-23-22(15-27-31(24(23)32)19-6-2-1-3-7-19)29-12-10-28(11-13-29)16-18-17-30-9-5-4-8-21(30)20(18)14-26/h1-9,15,17H,10-13,16H2/p+1