2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C23H22BrN3O2 MolecularWeight: 452.34368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCO.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCO.[Br-]

InChI

InChI=1S/C23H21N3O2.BrH/c27-15-14-24-23-25-20-8-4-5-9-21(20)26(23)16-22(28)19-12-10-18(11-13-19)17-6-2-1-3-7-17;/h1-13,27H,14-16H2,(H,24,25);1H