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

Systemtic Name: [1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(4-phenoxybutyl)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-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(4-phenoxybutyl)-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-phenoxybutyl)quinuclidin-1-ium-2-yl] ester Formula: C27H32NO4S2+ MolecularWeight: 498.67728

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCCOC5=CC=CC=C5

InChI

InChI=1S/C27H32NO4S2/c29-26(27(30,23-10-6-18-33-23)24-11-7-19-34-24)32-25-20-21-12-15-28(25,16-13-21)14-4-5-17-31-22-8-2-1-3-9-22/h1-3,6-11,18-19,21,25,30H,4-5,12-17,20H2/q+1