(3S)-1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethyloxy)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(5-nitro-2-pyridin-1-iumyl)-N-[4-(trifluoromethoxy)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(5-nitropyridin-1-ium-2-yl)-N-[4-(trifluoromethoxy)phenyl]nipecotamide Formula: C18H18F3N4O4+ MolecularWeight: 411.35513

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H17F3N4O4/c19-18(20,21)29-15-6-3-13(4-7-15)23-17(26)12-2-1-9-24(11-12)16-8-5-14(10-22-16)25(27)28/h3-8,10,12H,1-2,9,11H2,(H,23,26)/p+1/t12-/m0/s1