2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-[3-(3-pyridyl)propanoyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[1-oxo-3-(3-pyridinyl)propyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(3-pyridin-3-ylpropanoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-[3-(3-pyridyl)propanoyl]piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H24F3N4O2+ MolecularWeight: 421.43607

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CCC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)CCC3=CN=CC=C3

InChI

InChI=1S/C21H23F3N4O2/c22-21(23,24)17-5-1-2-6-18(17)26-19(29)15-27-10-12-28(13-11-27)20(30)8-7-16-4-3-9-25-14-16/h1-6,9,14H,7-8,10-13,15H2,(H,26,29)/p+1