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

Systemtic Name: 2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phthalazin-1-one Formula: C20H19F3N5O2+ MolecularWeight: 418.39237

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O2/c1-26-18(29)15-5-3-2-4-14(15)17(25-26)19(30)28-10-8-27(9-11-28)16-7-6-13(12-24-16)20(21,22)23/h2-7,12H,8-11H2,1H3/p+1