methyl (1R,5S,7S)-5-cyano-8-methyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate

Systemtic Name: methyl (1R,5S,7S)-5-cyano-8-methyl-4-oxidanylidene-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate Openeye Name: methyl (1R,5S,7S)-5-cyano-8-methyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate CAS Name: (1R,5S,7S)-5-cyano-8-methyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S,7S)-5-cyano-8-methyl-4-oxo-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylate Traditional Name: (1R,5S,7S)-5-cyano-4-keto-8-methyl-8-azoniabicyclo[3.2.1]oct-2-ene-7-carboxylic acid methyl ester Formula: C11H13N2O3+ MolecularWeight: 221.23252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2C=CC(=O)C1(CC2C(=O)OC)C#N

Isomeric SMILES

C[NH+]1[C@@H]2C=CC(=O)[C@]1(C[C@@H]2C(=O)OC)C#N

InChI

InChI=1S/C11H12N2O3/c1-13-8-3-4-9(14)11(13,6-12)5-7(8)10(15)16-2/h3-4,7-8H,5H2,1-2H3/p+1/t7-,8+,11-/m0/s1