(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-(3-oxo-1-piperazin-1-iumyl)-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]propionamide Formula: C14H17F3N3O2+ MolecularWeight: 316.29889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/p+1/t9-/m0/s1