(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenyl-butanoate CAS Name: 4-hydroxy-2-phenylbutanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate Traditional Name: 4-hydroxy-2-phenyl-butyric acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C

InChI

InChI=1S/C19H28NO3/c1-20(2)15-8-9-16(20)13-17(12-15)23-19(22)18(10-11-21)14-6-4-3-5-7-14/h3-7,15-18,21H,8-13H2,1-2H3/q+1