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

Systemtic Name: (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: [4-(1-pyrazolyl)phenyl]-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (4-pyrazol-1-ylphenyl)-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C20H19F3N5O+ MolecularWeight: 402.39297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H18F3N5O/c21-20(22,23)17-3-1-8-24-18(17)26-11-13-27(14-12-26)19(29)15-4-6-16(7-5-15)28-10-2-9-25-28/h1-10H,11-14H2/p+1