(2S)-2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]propionamide Formula: C20H20ClF6N4O+ MolecularWeight: 481.842419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF6N4O/c1-12(18(32)29-16-5-3-2-4-14(16)20(25,26)27)30-6-8-31(9-7-30)17-15(21)10-13(11-28-17)19(22,23)24/h2-5,10-12H,6-9H2,1H3,(H,29,32)/p+1/t12-/m0/s1