(1S,3S,4R,5R)-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: (1S,3S,4R,5R)-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: (1S,3S,4R,5R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,3S,4R,5R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylate IUPAC Name: (1S,3S,4R,5R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,3S,4R,5R)-3-benzoyloxy-8-azoniabicyclo[3.2.1]octane-4-carboxylate Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(CC1[NH2+]2)OC(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]2[C@H]([C@H](C[C@H]1[NH2+]2)OC(=O)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1