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

Systemtic Name: N-(4-ethanoylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C22H25F3N3O2+ MolecularWeight: 420.44801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3O2/c1-16(29)17-5-7-19(8-6-17)26-21(30)9-10-27-11-13-28(14-12-27)20-4-2-3-18(15-20)22(23,24)25/h2-8,15H,9-14H2,1H3,(H,26,30)/p+1