1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[4-(trifluoromethyloxy)phenyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[4-(trifluoromethyloxy)phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-[4-(trifluoromethoxy)phenyl]piperazin-1-ium CAS Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[4-(trifluoromethoxy)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[4-(trifluoromethoxy)phenyl]piperazin-1-ium Traditional Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-[4-(trifluoromethoxy)phenyl]piperazin-1-ium Formula: C20H21F3N5O+ MolecularWeight: 404.40885

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC=C(C=C2)OC(F)(F)F)C3=CC=NN3)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC=C(C=C2)OC(F)(F)F)C3=CC=NN3)C4=CC=NC=C4

InChI

InChI=1S/C20H21F3N5O/c1-28(16-6-9-24-10-7-16)13-12-27(19-8-11-25-26-19)14-18(28)15-2-4-17(5-3-15)29-20(21,22)23/h2-11,18H,12-14H2,1H3,(H,25,26)/q+1