[(3R)-1-(4-cyanobutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [(3R)-1-(4-cyanobutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(3R)-1-(4-cyanobutyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-(4-cyanobutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(4-cyanobutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-(4-cyanobutyl)quinuclidin-1-ium-3-yl] ester Formula: C22H27N2O3S2+ MolecularWeight: 431.59138

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCCC#N

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCCC#N

InChI

InChI=1S/C22H27N2O3S2/c23-10-2-1-3-11-24-12-8-17(9-13-24)18(16-24)27-21(25)22(26,19-6-4-14-28-19)20-7-5-15-29-20/h4-7,14-15,17-18,26H,1-3,8-9,11-13,16H2/q+1/t17?,18-,24?/m0/s1