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

Systemtic Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C19H27F3N3O2+ MolecularWeight: 386.43179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O2/c1-18(2,3)23-16(26)13-24-7-9-25(10-8-24)17(27)12-14-5-4-6-15(11-14)19(20,21)22/h4-6,11H,7-10,12-13H2,1-3H3,(H,23,26)/p+1