[(3R)-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenethyl-N-phenyl-carbamate

Systemtic Name: [(3R)-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenethyl-N-phenyl-carbamate Openeye Name: [(3R)-1-(2-benzyloxyethyl)quinuclidin-1-ium-3-yl] N-phenethyl-N-phenyl-carbamate CAS Name: N-phenethyl-N-phenylcarbamic acid [(3R)-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenethyl-N-phenylcarbamate Traditional Name: N-phenethyl-N-phenyl-carbamic acid [(3R)-1-(2-benzoxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C31H37N2O3+ MolecularWeight: 485.63708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)N(CCC3=CC=CC=C3)C4=CC=CC=C4)CCOCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CCC3=CC=CC=C3)C4=CC=CC=C4)CCOCC5=CC=CC=C5

InChI

InChI=1S/C31H37N2O3/c34-31(32(29-14-8-3-9-15-29)19-16-26-10-4-1-5-11-26)36-30-24-33(20-17-28(30)18-21-33)22-23-35-25-27-12-6-2-7-13-27/h1-15,28,30H,16-25H2/q+1/t28?,30-,33?/m0/s1