N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C20H24F3N4O2+ MolecularWeight: 409.42537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C20H23F3N4O2/c1-12-9-13(2)26-19(29)16(12)11-25-18(28)14-5-7-27(8-6-14)17-4-3-15(10-24-17)20(21,22)23/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,25,28)(H,26,29)/p+1