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

Systemtic Name: 2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide Formula: C24H24BrN3O2 MolecularWeight: 466.37026

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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)NCCCO.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2.BrH/c28-16-6-15-25-24-26-21-9-4-5-10-22(21)27(24)17-23(29)20-13-11-19(12-14-20)18-7-2-1-3-8-18;/h1-5,7-14,28H,6,15-17H2,(H,25,26);1H