2-(2-azanyl-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-(2-amino-3-heptyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-heptylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C22H26BrCl2N3O MolecularWeight: 499.27134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C22H25Cl2N3O.BrH/c1-2-3-4-5-8-13-26-19-9-6-7-10-20(19)27(22(26)25)15-21(28)16-11-12-17(23)18(24)14-16;/h6-7,9-12,14,25H,2-5,8,13,15H2,1H3;1H