1-(5-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide Traditional Name: 1-(5-cyanopyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]isonipecotamide Formula: C19H18F3N4O2+ MolecularWeight: 391.36703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C19H17F3N4O2/c20-19(21,22)28-16-4-2-15(3-5-16)25-18(27)14-7-9-26(10-8-14)17-6-1-13(11-23)12-24-17/h1-6,12,14H,7-10H2,(H,25,27)/p+1