[(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-[(3-methylphenyl)methyl]-N-[2,4,5-tris(fluoranyl)phenyl]carbamate

Systemtic Name: [(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-[(3-methylphenyl)methyl]-N-[2,4,5-tris(fluoranyl)phenyl]carbamate Openeye Name: [(3R)-1-(3-phenylpropyl)quinuclidin-1-ium-3-yl] N-(m-tolylmethyl)-N-(2,4,5-trifluorophenyl)carbamate CAS Name: N-[(3-methylphenyl)methyl]-N-(2,4,5-trifluorophenyl)carbamic 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-[(3-methylphenyl)methyl]-N-(2,4,5-trifluorophenyl)carbamate Traditional Name: N-(3-methylbenzyl)-N-(2,4,5-trifluorophenyl)carbamic acid [(3R)-1-(3-phenylpropyl)quinuclidin-1-ium-3-yl] ester Formula: C31H34F3N2O2+ MolecularWeight: 523.60907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2=CC(=C(C=C2F)F)F)C(=O)OC3C[N+]4(CCC3CC4)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2=CC(=C(C=C2F)F)F)C(=O)O[C@H]3C[N+]4(CCC3CC4)CCCC5=CC=CC=C5

InChI

InChI=1S/C31H34F3N2O2/c1-22-7-5-10-24(17-22)20-35(29-19-27(33)26(32)18-28(29)34)31(37)38-30-21-36(15-12-25(30)13-16-36)14-6-11-23-8-3-2-4-9-23/h2-5,7-10,17-19,25,30H,6,11-16,20-21H2,1H3/q+1/t25?,30-,36?/m0/s1