(2S)-N-(2-methylphenyl)-2-[4-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methylphenyl)-2-[4-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]piperazin-4-ium-1-yl]propanamide Openeye Name: (2S)-N-(o-tolyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methylphenyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylphenyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-4-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-4-ium-1-yl]-N-(o-tolyl)propionamide Formula: C23H28F3N4O3+ MolecularWeight: 465.48863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C23H27F3N4O3/c1-16-5-3-4-6-20(16)28-22(32)17(2)30-13-11-29(12-14-30)15-21(31)27-18-7-9-19(10-8-18)33-23(24,25)26/h3-10,17H,11-15H2,1-2H3,(H,27,31)(H,28,32)/p+1/t17-/m0/s1