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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C18H17F4N4O3+ MolecularWeight: 413.346193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F4N4O3/c19-14-3-2-13(9-15(14)26(28)29)24-17(27)11-5-7-25(8-6-11)16-4-1-12(10-23-16)18(20,21)22/h1-4,9-11H,5-8H2,(H,24,27)/p+1