(2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: (2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: (2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: (2S)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: (2S)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: (2S)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C19H22F3N4O2+ MolecularWeight: 395.39879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC(F)(F)F)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H21F3N4O2/c1-14(25-10-12-26(13-11-25)17-4-2-3-9-23-17)18(27)24-15-5-7-16(8-6-15)28-19(20,21)22/h2-9,14H,10-13H2,1H3,(H,24,27)/p+1/t14-/m0/s1