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

Systemtic Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-methyl-4-(1H-pyrazol-5-yl)-1-(4-pyridyl)-2-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C20H21F3N5+ MolecularWeight: 388.40945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N5/c1-28(17-5-8-24-9-6-17)12-11-27(19-7-10-25-26-19)14-18(28)15-3-2-4-16(13-15)20(21,22)23/h2-10,13,18H,11-12,14H2,1H3,(H,25,26)/q+1