hydron; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate; bromide

Systemtic Name: hydron; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate; bromide Openeye Name: hydron; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenyl-acetate; bromide CAS Name: hydron; 2-hydroxy-2-phenylacetic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; bromide IUPAC Name: hydron; [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate; bromide Traditional Name: hydron; 2-hydroxy-2-phenyl-acetic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; bromide Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

[H+].CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;