[6-(1,2,4-triazol-1-yl)pyridin-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [6-(1,2,4-triazol-1-yl)pyridin-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [6-(1,2,4-triazol-1-yl)-3-pyridyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: [6-(1,2,4-triazol-1-yl)-3-pyridinyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [6-(1,2,4-triazol-1-yl)pyridin-3-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [6-(1,2,4-triazol-1-yl)-3-pyridyl]-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C20H20F3N6O+ MolecularWeight: 417.40761

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CN=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CN=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H19F3N6O/c21-20(22,23)17-3-1-2-15(10-17)12-27-6-8-28(9-7-27)19(30)16-4-5-18(25-11-16)29-14-24-13-26-29/h1-5,10-11,13-14H,6-9,12H2/p+1