ethyl 8,8-dimethyl-2-oxidanylidene-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate iodide

Systemtic Name: ethyl 8,8-dimethyl-2-oxidanylidene-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate iodide Openeye Name: ethyl 8,8-dimethyl-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate iodide CAS Name: 8,8-dimethyl-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 8,8-dimethyl-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate iodide Traditional Name: 2-keto-8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid ethyl ester iodide Formula: C12H18INO3 MolecularWeight: 351.18069

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(=O)C=CC1[N+]2(C)C.[I-]

Isomeric SMILES

CCOC(=O)C1CC2C(=O)C=CC1[N+]2(C)C.[I-]

InChI

InChI=1S/C12H18NO3.HI/c1-4-16-12(15)8-7-10-11(14)6-5-9(8)13(10,2)3;/h5-6,8-10H,4,7H2,1-3H3;1H/q+1;/p-1