(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanylidene-3H-benzimidazole-1-carboxylate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanylidene-3H-benzimidazole-1-carboxylate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxo-3H-benzimidazole-1-carboxylate bromide CAS Name: 2-oxo-3H-benzimidazole-1-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxo-3H-benzimidazole-1-carboxylate bromide Traditional Name: 2-keto-3H-benzimidazole-1-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C17H22BrN3O3 MolecularWeight: 396.27888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)N3C4=CC=CC=C4NC3=O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)N3C4=CC=CC=C4NC3=O)C.[Br-]

InChI

InChI=1S/C17H21N3O3.BrH/c1-20(2)11-7-8-12(20)10-13(9-11)23-17(22)19-15-6-4-3-5-14(15)18-16(19)21;/h3-6,11-13H,7-10H2,1-2H3;1H