1-[2,4-bis(fluoranyl)phenyl]-N-(pyridin-2-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-N-(pyridin-2-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-(2,4-difluorophenyl)-N-(2-pyridylmethyl)-3H-benzimidazol-1-ium-5-carboxamide CAS Name: 1-(2,4-difluorophenyl)-N-(2-pyridinylmethyl)-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: 1-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: 1-(2,4-difluorophenyl)-N-(2-pyridylmethyl)-3H-benzimidazol-1-ium-5-carboxamide Formula: C20H15F2N4O+ MolecularWeight: 365.356106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C2=CC3=C(C=C2)[N+](=CN3)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)C2=CC3=C(C=C2)[N+](=CN3)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H14F2N4O/c21-14-5-7-18(16(22)10-14)26-12-25-17-9-13(4-6-19(17)26)20(27)24-11-15-3-1-2-8-23-15/h1-10,12H,11H2,(H,24,27)/p+1