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

Systemtic Name: [(3R)-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-pentyl-N-phenyl-carbamate Openeye Name: [(3R)-1-(2-benzyloxyethyl)quinuclidin-1-ium-3-yl] N-pentyl-N-phenyl-carbamate CAS Name: N-pentyl-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-pentyl-N-phenylcarbamate Traditional Name: N-amyl-N-phenyl-carbamic acid [(3R)-1-(2-benzoxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)CCOCC4=CC=CC=C4

Isomeric SMILES

CCCCCN(C1=CC=CC=C1)C(=O)O[C@H]2C[N+]3(CCC2CC3)CCOCC4=CC=CC=C4

InChI

InChI=1S/C28H39N2O3/c1-2-3-10-17-29(26-13-8-5-9-14-26)28(31)33-27-22-30(18-15-25(27)16-19-30)20-21-32-23-24-11-6-4-7-12-24/h4-9,11-14,25,27H,2-3,10,15-23H2,1H3/q+1/t25?,27-,30?/m0/s1