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

Systemtic Name: [(4R)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4R)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(4R)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4R)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(4R)-3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C21H30NO3+ MolecularWeight: 344.4678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC1C2OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

C[N+]1(CC2CC[C@@H]1C2OC(=O)[C@@](C3CCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C21H30NO3/c1-22(2)14-15-12-13-18(22)19(15)25-20(23)21(24,17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,15,17-19,24H,6-7,10-14H2,1-2H3/q+1/t15?,18-,19?,21+/m1/s1