2-butyl-1-[fluoranyl(phenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide

Systemtic Name: 2-butyl-1-[fluoranyl(phenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 2-butyl-1-[fluoro(phenyl)methyl]-N-methyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: 2-butyl-1-[fluoro(phenyl)methyl]-N-methyl-N-(2-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 2-butyl-1-[fluoro(phenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 2-butyl-1-[fluoro(phenyl)methyl]-N-methyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide Formula: C26H28FN4O+ MolecularWeight: 431.525123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(C(C3=CC=CC=C3)F)C(=O)N(C)CC4=CC=CC=N4

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(C(C3=CC=CC=C3)F)C(=O)N(C)CC4=CC=CC=N4

InChI

InChI=1S/C26H28FN4O/c1-3-4-17-24-29-22-15-8-9-16-23(22)31(24,25(27)20-12-6-5-7-13-20)26(32)30(2)19-21-14-10-11-18-28-21/h5-16,18,25H,3-4,17,19H2,1-2H3/q+1