4-chloranyl-2-phenyl-5-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C21H23ClN5O+ MolecularWeight: 396.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O/c22-20-19(16-24-27(21(20)28)18-7-2-1-3-8-18)26-14-12-25(13-15-26)11-9-17-6-4-5-10-23-17/h1-8,10,16H,9,11-15H2/p+1