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

Systemtic Name: ethyl (3S,4R)-8-methyl-3-(phenylcarbonyloxy)-8-azoniabicyclo[3.2.1]octane-4-carboxylate Openeye Name: ethyl (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2CCC([NH+]2C)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/p+1/t13?,14?,15-,16+/m0/s1