3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C21H25F3N3O2+ MolecularWeight: 408.43731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H24F3N3O2/c1-16-4-2-3-5-19(16)27-14-12-26(13-15-27)11-10-20(28)25-17-6-8-18(9-7-17)29-21(22,23)24/h2-9H,10-15H2,1H3,(H,25,28)/p+1