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

Systemtic Name: N-(3-ethanoylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide Formula: C21H23F3N3O2+ MolecularWeight: 406.42143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2/c1-15(28)16-4-2-6-18(12-16)25-20(29)14-26-8-10-27(11-9-26)19-7-3-5-17(13-19)21(22,23)24/h2-7,12-13H,8-11,14H2,1H3,(H,25,29)/p+1