methyl (3S,4R)-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4R)-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H20NO4+ MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC([NH2+]2)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1[C@H](CC2CCC1[NH2+]2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/p+1/t11?,12?,13-,14+/m0/s1