N-methyl-2-[(2R)-3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-phenethyl-ethanamide

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-phenethyl-ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-phenethyl-acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-2-yl]-N-phenethylacetamide Traditional Name: 2-[(2R)-3-keto-1-[3-(trifluoromethyl)benzyl]piperazin-1-ium-2-yl]-N-methyl-N-phenethyl-acetamide Formula: C23H27F3N3O2+ MolecularWeight: 434.47459

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H26F3N3O2/c1-28(12-10-17-6-3-2-4-7-17)21(30)15-20-22(31)27-11-13-29(20)16-18-8-5-9-19(14-18)23(24,25)26/h2-9,14,20H,10-13,15-16H2,1H3,(H,27,31)/p+1/t20-/m1/s1