N-methyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-methyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-methyl-4-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-4-[[1-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-methyl-4-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-methyl-4-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H24F3N4O2+ MolecularWeight: 421.43607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N4O2/c1-25-20(30)15-5-7-17(8-6-15)26-19(29)14-27-9-11-28(12-10-27)18-4-2-3-16(13-18)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,30)(H,26,29)/p+1