N-(3-cyanophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-cyanophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(3-cyanophenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(3-cyanophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-cyanophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H18F3N4O+ MolecularWeight: 375.36763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O/c20-19(21,22)15-4-5-17(24-12-15)26-8-6-14(7-9-26)18(27)25-16-3-1-2-13(10-16)11-23/h1-5,10,12,14H,6-9H2,(H,25,27)/p+1