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

Systemtic Name: [(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(phenylmethyl)carbamate Openeye Name: [(3R)-1-phenethylquinuclidin-1-ium-3-yl] N-benzyl-N-phenyl-carbamate CAS Name: N-phenyl-N-(phenylmethyl)carbamic acid [(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-benzyl-N-phenylcarbamate Traditional Name: N-benzyl-N-phenyl-carbamic acid [(3R)-1-phenethylquinuclidin-1-ium-3-yl] ester Formula: C29H33N2O2+ MolecularWeight: 441.58452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H33N2O2/c32-29(30(27-14-8-3-9-15-27)22-25-12-6-2-7-13-25)33-28-23-31(20-17-26(28)18-21-31)19-16-24-10-4-1-5-11-24/h1-15,26,28H,16-23H2/q+1/t26?,28-,31?/m0/s1