(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C16H23F3N3O+ MolecularWeight: 330.36853

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H22F3N3O/c1-3-20-15(23)12(2)21-7-9-22(10-8-21)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/p+1/t12-/m0/s1