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

Systemtic Name: 2-butyl-1-[(2-fluorophenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 2-butyl-1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: 2-butyl-1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 2-butyl-1-[(2-fluorophenyl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 2-butyl-1-(2-fluorobenzyl)-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(CC3=CC=CC=C3F)C(=O)N(C)CC4=CC=CC=N4

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3F)C(=O)N(C)CC4=CC=CC=N4

InChI

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