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

Systemtic Name: N-(3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(3-nitrophenyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C18H18F3N4O3+ MolecularWeight: 395.35573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O3/c19-18(20,21)13-4-5-16(22-11-13)24-8-6-12(7-9-24)17(26)23-14-2-1-3-15(10-14)25(27)28/h1-5,10-12H,6-9H2,(H,23,26)/p+1