N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H20F6N3O+ MolecularWeight: 432.382719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F6N3O/c21-19(22,23)14-10-15(20(24,25)26)12-16(11-14)27-18(30)13-28-6-8-29(9-7-28)17-4-2-1-3-5-17/h1-5,10-12H,6-9,13H2,(H,27,30)/p+1