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

Systemtic Name: N-(4-aminocarbonylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(4-carbamoylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(4-carbamoylphenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(4-carbamoylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H20F3N4O2+ MolecularWeight: 393.38291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4O2/c20-19(21,22)14-3-6-16(24-11-14)26-9-7-13(8-10-26)18(28)25-15-4-1-12(2-5-15)17(23)27/h1-6,11,13H,7-10H2,(H2,23,27)(H,25,28)/p+1