5-chloranyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Formula: C16H17ClF3N4O+ MolecularWeight: 373.78059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C16H16ClF3N4O/c17-14-13(9-21-22-15(14)25)24-7-5-23(6-8-24)10-11-1-3-12(4-2-11)16(18,19)20/h1-4,9H,5-8,10H2,(H,22,25)/p+1