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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CS5

InChI

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