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

Systemtic Name: [(3R)-1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenyl-carbamate Openeye Name: [(3R)-1-(3-phenylpropyl)quinuclidin-1-ium-3-yl] N-butyl-N-phenyl-carbamate CAS Name: N-butyl-N-phenylcarbamic 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-butyl-N-phenylcarbamate Traditional Name: N-butyl-N-phenyl-carbamic acid [(3R)-1-(3-phenylpropyl)quinuclidin-1-ium-3-yl] ester Formula: C27H37N2O2+ MolecularWeight: 421.59488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)O[C@H]2C[N+]3(CCC2CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H37N2O2/c1-2-3-18-28(25-14-8-5-9-15-25)27(30)31-26-22-29(20-16-24(26)17-21-29)19-10-13-23-11-6-4-7-12-23/h4-9,11-12,14-15,24,26H,2-3,10,13,16-22H2,1H3/q+1/t24?,26-,29?/m0/s1