[(3R)-1-[3-(4-fluoranylphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenyl-carbamate

Systemtic Name: [(3R)-1-[3-(4-fluoranylphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenyl-carbamate Openeye Name: [(3R)-1-[3-(4-fluorophenoxy)propyl]quinuclidin-1-ium-3-yl] N-butyl-N-phenyl-carbamate CAS Name: N-butyl-N-phenylcarbamic acid [(3R)-1-[3-(4-fluorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-[3-(4-fluorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenylcarbamate Traditional Name: N-butyl-N-phenyl-carbamic acid [(3R)-1-[3-(4-fluorophenoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C27H36FN2O3+ MolecularWeight: 455.584743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=C(C=C4)F

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)O[C@H]2C[N+]3(CCC2CC3)CCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C27H36FN2O3/c1-2-3-16-29(24-8-5-4-6-9-24)27(31)33-26-21-30(18-14-22(26)15-19-30)17-7-20-32-25-12-10-23(28)11-13-25/h4-6,8-13,22,26H,2-3,7,14-21H2,1H3/q+1/t22?,26-,30?/m0/s1