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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C22H24F3N4O+ MolecularWeight: 417.44737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)C2=CC=CC=C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N4O/c23-22(24,25)18-6-4-9-20(16-18)28-14-12-27(13-15-28)17-21(30)29(11-5-10-26)19-7-2-1-3-8-19/h1-4,6-9,16H,5,11-15,17H2/p+1