[(1R,5S)-8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R,5S)-8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R,5S)-8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenyl-acetate CAS Name: 2-hydroxy-2-phenylacetic acid [(1R,5S)-8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate Traditional Name: 2-hydroxy-2-phenyl-acetic acid [(1R,5S)-8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28NO4/c1-25(16-22(26)17-8-4-2-5-9-17)19-12-13-20(25)15-21(14-19)29-24(28)23(27)18-10-6-3-7-11-18/h2-11,19-21,23,27H,12-16H2,1H3/q+1/t19-,20+,21?,23?,25?