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

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C17H22F3N4O2+ MolecularWeight: 371.37739

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H21F3N4O2/c18-17(19,20)12-1-4-14(21-9-12)24-7-5-11(6-8-24)16(26)22-10-15(25)23-13-2-3-13/h1,4,9,11,13H,2-3,5-8,10H2,(H,22,26)(H,23,25)/p+1