1-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H23F3N3O2+ MolecularWeight: 406.42143

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2/c22-21(23,24)16-5-4-8-18(13-16)25-19(28)14-27-11-9-15(10-12-27)20(29)26-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,25,28)(H,26,29)/p+1