3-[(4-bromanylphenoxy)methyl]-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)benzamide

Systemtic Name: 3-[(4-bromanylphenoxy)methyl]-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)benzamide Openeye Name: 3-[(4-bromophenoxy)methyl]-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)benzamide CAS Name: 3-[(4-bromophenoxy)methyl]-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)benzamide IUPAC Name: 3-[(4-bromophenoxy)methyl]-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)benzamide Traditional Name: 3-[(4-bromophenoxy)methyl]-N-(3-methyl-1H-benzimidazol-3-ium-2-yl)benzamide Formula: C22H19BrN3O2+ MolecularWeight: 437.30916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O2/c1-26-20-8-3-2-7-19(20)24-22(26)25-21(27)16-6-4-5-15(13-16)14-28-18-11-9-17(23)10-12-18/h2-13H,14H2,1H3,(H,24,25,27)/p+1