(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C16H21F3N3O2+ MolecularWeight: 344.35205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H20F3N3O2/c1-11(21-7-9-22(10-8-21)12(2)23)15(24)20-14-5-3-13(4-6-14)16(17,18)19/h3-6,11H,7-10H2,1-2H3,(H,20,24)/p+1/t11-/m0/s1