[(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate

Systemtic Name: [(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate Openeye Name: [(3R)-1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] N,N-bis(2-thienylmethyl)carbamate CAS Name: N,N-bis(thiophen-2-ylmethyl)carbamic acid [(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N,N-bis(thiophen-2-ylmethyl)carbamate Traditional Name: N,N-bis(2-thenyl)carbamic acid [(3R)-1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] ester Formula: C25H31N2O2S3+ MolecularWeight: 487.72084

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)N(CC3=CC=CS3)CC4=CC=CS4)CCCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CC=CS3)CC4=CC=CS4)CCCC5=CC=CS5

InChI

InChI=1S/C25H31N2O2S3/c28-25(26(17-22-7-3-15-31-22)18-23-8-4-16-32-23)29-24-19-27(12-9-20(24)10-13-27)11-1-5-21-6-2-14-30-21/h2-4,6-8,14-16,20,24H,1,5,9-13,17-19H2/q+1/t20?,24-,27?/m0/s1