2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C28H23BrClN3O MolecularWeight: 532.85872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C4=CC=CC=C4[N+](=C3N)CC5=CC=C(C=C5)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C4=CC=CC=C4[N+](=C3N)CC5=CC=C(C=C5)Cl.[Br-]

InChI

InChI=1S/C28H22ClN3O.BrH/c29-24-16-10-20(11-17-24)18-31-25-8-4-5-9-26(25)32(28(31)30)19-27(33)23-14-12-22(13-15-23)21-6-2-1-3-7-21;/h1-17,30H,18-19H2;1H