2-[4-(1H-pyrazol-4-ylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1H-pyrazol-4-ylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[oxo(1H-pyrazol-4-yl)methyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C17H19F3N5O2+ MolecularWeight: 382.36027

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CNN=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CNN=C3

InChI

InChI=1S/C17H18F3N5O2/c18-17(19,20)13-3-1-2-4-14(13)23-15(26)11-24-5-7-25(8-6-24)16(27)12-9-21-22-10-12/h1-4,9-10H,5-8,11H2,(H,21,22)(H,23,26)/p+1