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

Systemtic Name: N-(1-propylpiperidin-1-ium-4-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-(1-propylpiperidin-1-ium-4-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-(1-propyl-4-piperidin-1-iumyl)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-propylpiperidin-1-ium-4-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(1-propylpiperidin-1-ium-4-yl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C20H31F3N4O+2 MolecularWeight: 400.48155

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H29F3N4O/c1-2-9-26-10-7-17(8-11-26)25-19(28)15-5-12-27(13-6-15)18-4-3-16(14-24-18)20(21,22)23/h3-4,14-15,17H,2,5-13H2,1H3,(H,25,28)/p+2