N-aminocarbonyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-carbamoyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-carbamoyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-carbamoyl-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-carbamoyl-3-[4-[4-(trifluoromethoxy)benzyl]piperazin-4-ium-1-yl]propionamide Formula: C16H22F3N4O3+ MolecularWeight: 375.36609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OC(F)(F)F)CCC(=O)NC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OC(F)(F)F)CCC(=O)NC(=O)N

InChI

InChI=1S/C16H21F3N4O3/c17-16(18,19)26-13-3-1-12(2-4-13)11-23-9-7-22(8-10-23)6-5-14(24)21-15(20)25/h1-4H,5-11H2,(H3,20,21,24,25)/p+1