[(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid [(4S)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C23H34NO3+ MolecularWeight: 372.52096

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C23H34NO3/c1-24(2)16-17-14-15-20(24)21(17)27-22(25)23(26,19-12-8-5-9-13-19)18-10-6-3-4-7-11-18/h5,8-9,12-13,17-18,20-21,26H,3-4,6-7,10-11,14-16H2,1-2H3/q+1/t17?,20-,21?,23?/m0/s1