N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H22F3N4O3+ MolecularWeight: 411.39819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(=O)NCC2=CC=CO2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC(=O)NCC2=CC=CO2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O3/c20-19(21,22)14-3-4-16(23-10-14)26-7-5-13(6-8-26)18(28)25-12-17(27)24-11-15-2-1-9-29-15/h1-4,9-10,13H,5-8,11-12H2,(H,24,27)(H,25,28)/p+1