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

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(2-phenoxyethyl)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-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-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-phenoxyethyl)quinuclidin-1-ium-2-yl] ester Formula: C25H28NO4S2+ MolecularWeight: 470.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCOC5=CC=CC=C5

InChI

InChI=1S/C25H28NO4S2/c27-24(25(28,21-8-4-16-31-21)22-9-5-17-32-22)30-23-18-19-10-12-26(23,13-11-19)14-15-29-20-6-2-1-3-7-20/h1-9,16-17,19,23,28H,10-15,18H2/q+1