N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]furan-2-carboxamide

Systemtic Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]furan-2-carboxamide Openeye Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]furan-2-carboxamide CAS Name: N-[6-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-3-pyridin-1-iumyl]-2-furancarboxamide IUPAC Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyridin-1-ium-3-yl]furan-2-carboxamide Traditional Name: N-[6-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]pyridin-1-ium-3-yl]-2-furamide Formula: C20H20F3N5O2+2 MolecularWeight: 419.40031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=[NH+]C=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C3=[NH+]C=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)14-3-5-17(24-12-14)27-7-9-28(10-8-27)18-6-4-15(13-25-18)26-19(29)16-2-1-11-30-16/h1-6,11-13H,7-10H2,(H,26,29)/p+2