1-(1-adamantyl)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(1-adamantyl)-2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)ethanone bromide Formula: C20H26BrN3O MolecularWeight: 404.34394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C34CC5CC(C3)CC(C5)C4)N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C34CC5CC(C3)CC(C5)C4)N.[Br-]

InChI

InChI=1S/C20H25N3O.BrH/c1-22-16-4-2-3-5-17(16)23(19(22)21)12-18(24)20-9-13-6-14(10-20)8-15(7-13)11-20;/h2-5,13-15,21H,6-12H2,1H3;1H