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

Systemtic Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]furan-2-carboxamide Openeye Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]-2-furamide Formula: C22H20F3N4O3+ MolecularWeight: 445.41441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N4O3/c23-22(24,25)16-5-8-19(26-14-16)28-9-11-29(12-10-28)21(31)15-3-6-17(7-4-15)27-20(30)18-2-1-13-32-18/h1-8,13-14H,9-12H2,(H,27,30)/p+1