2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C20H18ClN6O+ MolecularWeight: 393.84952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=C(C=CC=[NH+]4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=C(C=CC=[NH+]4)C#N

InChI

InChI=1S/C20H17ClN6O/c21-18-17(14-24-27(20(18)28)16-6-2-1-3-7-16)25-9-11-26(12-10-25)19-15(13-22)5-4-8-23-19/h1-8,14H,9-12H2/p+1