[(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.1]heptan-3-yl] N-butyl-N-phenyl-carbamate

Systemtic Name: [(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.1]heptan-3-yl] N-butyl-N-phenyl-carbamate Openeye Name: [(3R)-1-[3-(2-thienyl)propyl]-1-azoniabicyclo[2.2.1]heptan-3-yl] N-butyl-N-phenyl-carbamate CAS Name: N-butyl-N-phenylcarbamic acid [(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.1]heptan-3-yl] ester IUPAC Name: [(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.1]heptan-3-yl] N-butyl-N-phenylcarbamate Traditional Name: N-butyl-N-phenyl-carbamic acid [(3R)-1-[3-(2-thienyl)propyl]-1-azoniabicyclo[2.2.1]heptan-3-yl] ester Formula: C24H33N2O2S+ MolecularWeight: 413.59602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2C3)CCCC4=CC=CS4

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)O[C@H]2C[N+]3(CCC2C3)CCCC4=CC=CS4

InChI

InChI=1S/C24H33N2O2S/c1-2-3-14-25(21-9-5-4-6-10-21)24(27)28-23-19-26(16-13-20(23)18-26)15-7-11-22-12-8-17-29-22/h4-6,8-10,12,17,20,23H,2-3,7,11,13-16,18-19H2,1H3/q+1/t20?,23-,26?/m0/s1