4-chloranyl-2-phenyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-(4-pyridin-1-ium-4-ylpiperazino)pyridazin-3-one Formula: C19H19ClN5O+ MolecularWeight: 368.84006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O/c20-18-17(14-22-25(19(18)26)16-4-2-1-3-5-16)24-12-10-23(11-13-24)15-6-8-21-9-7-15/h1-9,14H,10-13H2/p+1