3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate CAS Name: 3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-[2-(trifluoromethyl)phenyl]-4-pyrazololate IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-4-olate Formula: C20H18F3N5O2 MolecularWeight: 417.38443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NN(C=C3[O-])C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NN(C=C3[O-])C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)14-5-1-2-6-15(14)28-13-16(29)18(25-28)19(30)27-11-9-26(10-12-27)17-7-3-4-8-24-17/h1-8,13,29H,9-12H2