ethyl 2,2-diethyl-9-oxidanylidene-2-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide

Systemtic Name: ethyl 2,2-diethyl-9-oxidanylidene-2-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide Openeye Name: ethyl 2,2-diethyl-9-oxo-2-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide CAS Name: 2,2-diethyl-9-oxo-2-azoniabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 2,2-diethyl-9-oxo-2-azoniabicyclo[3.3.1]nonane-5-carboxylate bromide Traditional Name: 2,2-diethyl-9-keto-2-azoniabicyclo[3.3.1]nonane-5-carboxylic acid ethyl ester bromide Formula: C15H26BrNO3 MolecularWeight: 348.27584

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC2(CCCC1C2=O)C(=O)OCC)CC.[Br-]

Isomeric SMILES

CC[N+]1(CCC2(CCCC1C2=O)C(=O)OCC)CC.[Br-]

InChI

InChI=1S/C15H26NO3.BrH/c1-4-16(5-2)11-10-15(14(18)19-6-3)9-7-8-12(16)13(15)17;/h12H,4-11H2,1-3H3;1H/q+1;/p-1