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

Systemtic Name: N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(isopropylamino)-2-oxo-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(isopropylamino)-2-keto-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C17H24F3N4O2+ MolecularWeight: 373.39327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H23F3N4O2/c1-11(2)23-15(25)10-22-16(26)12-5-7-24(8-6-12)14-4-3-13(9-21-14)17(18,19)20/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,22,26)(H,23,25)/p+1