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

Systemtic Name: 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium Openeye Name: 4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium CAS Name: 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium Traditional Name: 4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)benzyl]piperidin-1-ium Formula: C20H21F3N3S+ MolecularWeight: 392.46105

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=CS3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=NN2)C3=CC=CS3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N3S/c21-20(22,23)16-4-1-3-14(11-16)13-26-8-6-15(7-9-26)17-12-18(25-24-17)19-5-2-10-27-19/h1-5,10-12,15H,6-9,13H2,(H,24,25)/p+1