methyl (5R)-8-oxidanylidene-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (5R)-8-oxidanylidene-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (5R)-3-benzoyloxy-8-oxo-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (5R)-3-benzoyloxy-8-oxo-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (5R)-3-benzoyloxy-8-oxo-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (5R)-3-benzoyloxy-8-keto-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H18NO5+ MolecularWeight: 304.31782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC([N+]2=O)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1[C@H]2CCC([N+]2=O)CC1OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18NO5/c1-21-16(19)14-12-8-7-11(17(12)20)9-13(14)22-15(18)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/q+1/t11?,12-,13?,14?/m1/s1