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

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenyl-carbamate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] N-butyl-N-phenyl-carbamate bromide CAS Name: N-butyl-N-phenylcarbamic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-butyl-N-phenylcarbamate bromide Traditional Name: N-butyl-N-phenyl-carbamic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C21H31BrN2O2 MolecularWeight: 423.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)CC=C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H31N2O2.BrH/c1-3-5-13-22(19-9-7-6-8-10-19)21(24)25-20-17-23(14-4-2)15-11-18(20)12-16-23;/h4,6-10,18,20H,2-3,5,11-17H2,1H3;1H/q+1;/p-1/t18?,20-,23?;/m0./s1