2-[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[oxo-(1-phenyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C23H23F3N5O2+ MolecularWeight: 458.45623

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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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22F3N5O2/c24-23(25,26)19-8-4-5-9-20(19)28-21(32)16-29-10-12-30(13-11-29)22(33)17-14-27-31(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H,28,32)/p+1