1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]isonipecotamide Formula: C18H18F3N4O4+ MolecularWeight: 411.35513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O4/c19-18(20,21)29-15-4-1-13(2-5-15)23-17(26)12-7-9-24(10-8-12)16-6-3-14(11-22-16)25(27)28/h1-6,11-12H,7-10H2,(H,23,26)/p+1