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

Systemtic Name: 2-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H18ClF3N5O+ MolecularWeight: 424.82733

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF3N5O/c20-16-9-14(19(21,22)23)11-24-17(16)27-7-5-26(6-8-27)12-28-18(29)15-4-2-1-3-13(15)10-25-28/h1-4,9-11H,5-8,12H2/p+1