[1-(4-oxidanylidene-4-thiophen-2-yl-butyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(4-oxidanylidene-4-thiophen-2-yl-butyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[4-oxo-4-(2-thienyl)butyl]quinuclidin-1-ium-2-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-(4-oxo-4-thiophen-2-ylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(4-oxo-4-thiophen-2-ylbutyl)-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-[4-keto-4-(2-thienyl)butyl]quinuclidin-1-ium-2-yl] ester Formula: C25H28NO4S3+ MolecularWeight: 502.68912

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC(=O)C5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC(=O)C5=CC=CS5

InChI

InChI=1S/C25H28NO4S3/c27-19(20-6-2-14-31-20)5-1-11-26-12-9-18(10-13-26)17-23(26)30-24(28)25(29,21-7-3-15-32-21)22-8-4-16-33-22/h2-4,6-8,14-16,18,23,29H,1,5,9-13,17H2/q+1