[1-(2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[2-(2-thienyl)ethyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-(2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(2-thiophen-2-ylethyl)-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 [1-[2-(2-thienyl)ethyl]quinuclidin-1-ium-3-yl] ester Formula: C23H26NO3S3+ MolecularWeight: 460.65244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CS5

InChI

InChI=1S/C23H26NO3S3/c25-22(23(26,20-5-2-14-29-20)21-6-3-15-30-21)27-19-16-24(10-7-17(19)8-11-24)12-9-18-4-1-13-28-18/h1-6,13-15,17,19,26H,7-12,16H2/q+1