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

Systemtic Name: [(3R)-1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenyl-carbamate Openeye Name: [(3R)-1-(2-benzyloxyethyl)quinuclidin-1-ium-3-yl] N-butyl-N-phenyl-carbamate CAS Name: N-butyl-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-butyl-N-phenylcarbamate Traditional Name: N-butyl-N-phenyl-carbamic acid [(3R)-1-(2-benzoxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N2O3/c1-2-3-16-28(25-12-8-5-9-13-25)27(30)32-26-21-29(17-14-24(26)15-18-29)19-20-31-22-23-10-6-4-7-11-23/h4-13,24,26H,2-3,14-22H2,1H3/q+1/t24?,26-,29?/m0/s1