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

Systemtic Name: 1-(4-heptylphenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-heptylphenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-heptylphenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-heptylphenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-heptylphenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C24H32BrN3O2 MolecularWeight: 474.43378

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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)NCCO.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2.BrH/c1-2-3-4-5-6-9-19-12-14-20(15-13-19)23(29)18-27-22-11-8-7-10-21(22)26-24(27)25-16-17-28;/h7-8,10-15,28H,2-6,9,16-18H2,1H3,(H,25,26);1H