ethyl (1S,5S,6S)-8,8-dimethyl-2-oxidanylidene-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate

Systemtic Name: ethyl (1S,5S,6S)-8,8-dimethyl-2-oxidanylidene-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate Openeye Name: ethyl (1S,5S,6S)-8,8-dimethyl-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate CAS Name: (1S,5S,6S)-8,8-dimethyl-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5S,6S)-8,8-dimethyl-2-oxo-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylate Traditional Name: (1S,5S,6S)-2-keto-8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-ene-6-carboxylic acid ethyl ester Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1C[C@H]2C(=O)C=C[C@@H]1[N+]2(C)C

InChI

InChI=1S/C12H18NO3/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/q+1/t8-,9-,10-/m0/s1