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

Systemtic Name: [(3R)-1-[3-(4-fluoranylphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenyl-carbamate bromide Openeye Name: [(3R)-1-[3-(4-fluorophenoxy)propyl]quinuclidin-1-ium-3-yl] N-butyl-N-phenyl-carbamate bromide CAS Name: N-butyl-N-phenylcarbamic acid [(3R)-1-[3-(4-fluorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-[3-(4-fluorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenylcarbamate bromide Traditional Name: N-butyl-N-phenyl-carbamic acid [(3R)-1-[3-(4-fluorophenoxy)propyl]quinuclidin-1-ium-3-yl] ester bromide Formula: C27H36BrFN2O3 MolecularWeight: 535.488743

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN2O3.BrH/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;1H/q+1;/p-1/t22?,26-,30?;/m0./s1