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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-(2-furylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-(2-furanylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(2-furfuryl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Formula: C20H21F3N3O+ MolecularWeight: 376.39545

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)C3=CC(=CC=C3)C(F)(F)F)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)C3=CC(=CC=C3)C(F)(F)F)CC4=CC=CO4

InChI

InChI=1S/C20H20F3N3O/c21-20(22,23)16-4-1-3-15(11-16)18-12-24-25-19(18)14-6-8-26(9-7-14)13-17-5-2-10-27-17/h1-5,10-12,14H,6-9,13H2,(H,24,25)/p+1