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

Systemtic Name: 4-chloranyl-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 4-chloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C14H13Cl2F3N5O+ MolecularWeight: 395.18713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C14H12Cl2F3N5O/c15-9-5-8(14(17,18)19)6-21-12(9)24-13(25)11(16)10(7-22-24)23-3-1-20-2-4-23/h5-7,20H,1-4H2/p+1