4-pyridin-1-ium-2-yl-N-[[2-(trifluoromethyloxy)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-pyridin-1-ium-2-yl-N-[[2-(trifluoromethyloxy)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-pyridin-1-ium-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(2-pyridin-1-iumyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-pyridin-1-ium-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-pyridin-1-ium-2-yl-N-[2-(trifluoromethoxy)benzyl]piperazine-1-carboxamide Formula: C18H20F3N4O2+ MolecularWeight: 381.37221

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NCC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)NCC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-6-2-1-5-14(15)13-23-17(26)25-11-9-24(10-12-25)16-7-3-4-8-22-16/h1-8H,9-13H2,(H,23,26)/p+1