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

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C18H26F3N4O2+ MolecularWeight: 387.41985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3N4O2/c1-17(2,3)24-15(26)11-23-16(27)12-6-8-25(9-7-12)14-5-4-13(10-22-14)18(19,20)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,23,27)(H,24,26)/p+1