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

Systemtic Name: (2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-isopropyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-isopropyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propionamide Formula: C17H25F3N3O+ MolecularWeight: 344.39511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24F3N3O/c1-12(2)21-16(24)13(3)22-7-9-23(10-8-22)15-6-4-5-14(11-15)17(18,19)20/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)/p+1/t13-/m0/s1