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

Systemtic Name: 1-(4-heptylphenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C25H34BrN3O2 MolecularWeight: 488.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCCO.[Br-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCCO.[Br-]

InChI

InChI=1S/C25H33N3O2.BrH/c1-2-3-4-5-6-10-20-13-15-21(16-14-20)24(30)19-28-23-12-8-7-11-22(23)27-25(28)26-17-9-18-29;/h7-8,11-16,29H,2-6,9-10,17-19H2,1H3,(H,26,27);1H