(8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2-phenyl-ethanoate Openeye Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-17(20)12-7-8-13(17)10-14(9-12)21-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3