(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: [1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C25H22F3N6O+ MolecularWeight: 479.47699

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21F3N6O/c26-25(27,28)19-8-9-22(30-16-19)32-11-13-33(14-12-32)24(35)21-17-34(20-6-2-1-3-7-20)31-23(21)18-5-4-10-29-15-18/h1-10,15-17H,11-14H2/p+1