[(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid [(4R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C24H36NO3+ MolecularWeight: 386.54754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36NO3/c1-3-25(2)17-18-15-16-21(25)22(18)28-23(26)24(27,20-13-9-6-10-14-20)19-11-7-4-5-8-12-19/h6,9-10,13-14,18-19,21-22,27H,3-5,7-8,11-12,15-17H2,1-2H3/q+1/t18?,21-,22?,24?,25?/m1/s1