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

Systemtic Name: N-[2-(ethylamino)-2-oxidanylidene-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(ethylamino)-2-oxo-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(ethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(ethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(ethylamino)-2-keto-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C16H22F3N4O2+ MolecularWeight: 359.36669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N4O2/c1-2-20-14(24)10-22-15(25)11-5-7-23(8-6-11)13-4-3-12(9-21-13)16(17,18)19/h3-4,9,11H,2,5-8,10H2,1H3,(H,20,24)(H,22,25)/p+1