2-(4-phenethylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-(4-phenethyl-1-piperazin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-(4-phenethylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C21H25F3N3O2+ MolecularWeight: 408.43731

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24F3N3O2/c22-21(23,24)29-19-8-6-18(7-9-19)25-20(28)16-27-14-12-26(13-15-27)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,25,28)/p+1