1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one bromide CAS Name: 1-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-3,3-dimethylbutan-2-one bromide Traditional Name: 1-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-3,3-dimethyl-butan-2-one bromide Formula: C17H26BrN3O MolecularWeight: 368.31184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C(C)(C)C.[Br-]

InChI

InChI=1S/C17H25N3O.BrH/c1-5-6-11-19-13-9-7-8-10-14(13)20(16(19)18)12-15(21)17(2,3)4;/h7-10,18H,5-6,11-12H2,1-4H3;1H