2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-(4-pyridin-4-ylcarbonylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(pyridine-4-carbonyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-(4-isonicotinoylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C19H20F3N4O3+ MolecularWeight: 409.38231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-3-1-15(2-4-16)24-17(27)13-25-9-11-26(12-10-25)18(28)14-5-7-23-8-6-14/h1-8H,9-13H2,(H,24,27)/p+1