1-[2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[2-(1-piperidyl)-5-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-piperidino-5-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxamide Formula: C20H28F3N4O2+ MolecularWeight: 413.45713

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H27F3N4O2/c21-20(22,23)15-4-5-17(27-8-2-1-3-9-27)16(12-15)25-18(28)13-26-10-6-14(7-11-26)19(24)29/h4-5,12,14H,1-3,6-11,13H2,(H2,24,29)(H,25,28)/p+1