8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; pentanedioic acid; dibromide

Systemtic Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; pentanedioic acid; dibromide Openeye Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; glutaric acid; dibromide CAS Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; pentanedioic acid; dibromide IUPAC Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; pentanedioic acid; dibromide Traditional Name: 8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; glutaric acid; dibromide Formula: C23H44Br2N2O4 MolecularWeight: 572.41446

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCCC1CC2)C.C[N+]1(C2CCCC1CC2)C.C(CC(=O)O)CC(=O)O.[Br-].[Br-]

Isomeric SMILES

C[N+]1(C2CCCC1CC2)C.C[N+]1(C2CCCC1CC2)C.C(CC(=O)O)CC(=O)O.[Br-].[Br-]

InChI

InChI=1S/2C9H18N.C5H8O4.2BrH/c2*1-10(2)8-4-3-5-9(10)7-6-8;6-4(7)2-1-3-5(8)9;;/h2*8-9H,3-7H2,1-2H3;1-3H2,(H,6,7)(H,8,9);2*1H/q2*+1;;;/p-2