N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[1-(2-furylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[1-(2-furanylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[1-(2-furfuryl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C19H13F3N4O3 MolecularWeight: 402.32673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NC2=NC3=C(N2CC4=CC=CO4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H13F3N4O3/c20-19(21,22)13-5-6-16-15(9-13)23-18(26(16)11-14-4-2-8-29-14)24-17(27)12-3-1-7-25(28)10-12/h1-10H,11H2,(H,23,24,27)