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

Systemtic Name: 1-(1-adamantyl)-2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(1-adamantyl)-2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)ethanone bromide Formula: C21H28BrN3O MolecularWeight: 418.37052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C34CC5CC(C3)CC(C5)C4.[Br-]

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C34CC5CC(C3)CC(C5)C4.[Br-]

InChI

InChI=1S/C21H27N3O.BrH/c1-2-23-17-5-3-4-6-18(17)24(20(23)22)13-19(25)21-10-14-7-15(11-21)9-16(8-14)12-21;/h3-6,14-16,22H,2,7-13H2,1H3;1H