3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one

Systemtic Name: 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyridin-2-one Openeye Name: 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one CAS Name: 3-[oxo-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]-1H-pyridin-2-one Traditional Name: 3-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbonyl]-2-pyridone Formula: C18H19F3N3O2+ MolecularWeight: 366.35757

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=CNC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C18H18F3N3O2/c19-18(20,21)14-4-1-3-13(11-14)12-23-7-9-24(10-8-23)17(26)15-5-2-6-22-16(15)25/h1-6,11H,7-10,12H2,(H,22,25)/p+1