2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-isobutyrylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C17H23F3N3O2+ MolecularWeight: 358.37863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H22F3N3O2/c1-12(2)16(25)23-8-6-22(7-9-23)11-15(24)21-14-5-3-4-13(10-14)17(18,19)20/h3-5,10,12H,6-9,11H2,1-2H3,(H,21,24)/p+1