[(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenyl-carbamate

Systemtic Name: [(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenyl-carbamate Openeye Name: [(3R)-1-(3-phenylpropyl)quinuclidin-1-ium-3-yl] N-(2-furylmethyl)-N-phenyl-carbamate CAS Name: N-(2-furanylmethyl)-N-phenylcarbamic acid [(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(furan-2-ylmethyl)-N-phenylcarbamate Traditional Name: N-(2-furfuryl)-N-phenyl-carbamic acid [(3R)-1-(3-phenylpropyl)quinuclidin-1-ium-3-yl] ester Formula: C28H33N2O3+ MolecularWeight: 445.57322

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)N(CC3=CC=CO3)C4=CC=CC=C4)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CC=CO3)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C28H33N2O3/c31-28(29(21-26-14-8-20-32-26)25-12-5-2-6-13-25)33-27-22-30(18-15-24(27)16-19-30)17-7-11-23-9-3-1-4-10-23/h1-6,8-10,12-14,20,24,27H,7,11,15-19,21-22H2/q+1/t24?,27-,30?/m0/s1