[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Systemtic Name: [(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Openeye Name: [(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]quinuclidin-1-ium-3-yl] 1-phenylcycloheptanecarboxylate CAS Name: 1-phenyl-1-cycloheptanecarboxylic acid [(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Traditional Name: 1-phenylcycloheptanecarboxylic acid [(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]quinuclidin-1-ium-3-yl] ester Formula: C30H37F3NO2+ MolecularWeight: 500.61549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CCC5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)O[C@H]3C[N+]4(CCC3CC4)CCC5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C30H37F3NO2/c31-30(32,33)26-12-8-9-23(21-26)13-18-34-19-14-24(15-20-34)27(22-34)36-28(35)29(16-6-1-2-7-17-29)25-10-4-3-5-11-25/h3-5,8-12,21,24,27H,1-2,6-7,13-20,22H2/q+1/t24?,27-,34?/m0/s1