4-(4-ethyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyloxy)phenyl]methyl]piperidin-1-ium

Systemtic Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethyloxy)phenyl]methyl]piperidin-1-ium Openeye Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-ium CAS Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-ium Traditional Name: 4-(4-ethyl-1H-pyrazol-5-yl)-1-[4-(trifluoromethoxy)benzyl]piperidin-1-ium Formula: C18H23F3N3O+ MolecularWeight: 354.38993

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCC1=C(NN=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H22F3N3O/c1-2-14-11-22-23-17(14)15-7-9-24(10-8-15)12-13-3-5-16(6-4-13)25-18(19,20)21/h3-6,11,15H,2,7-10,12H2,1H3,(H,22,23)/p+1