[1-(4-oxidanylidene-4-thiophen-2-yl-butyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: [1-(4-oxidanylidene-4-thiophen-2-yl-butyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[4-oxo-4-(2-thienyl)butyl]quinuclidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [1-(4-oxo-4-thiophen-2-ylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(4-oxo-4-thiophen-2-ylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid [1-[4-keto-4-(2-thienyl)butyl]quinuclidin-1-ium-3-yl] ester Formula: C26H34NO4S2+ MolecularWeight: 488.68246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC(=O)C5=CC=CS5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC(=O)C5=CC=CS5)O

InChI

InChI=1S/C26H34NO4S2/c28-21(23-9-4-16-32-23)8-3-13-27-14-11-19(12-15-27)22(18-27)31-25(29)26(30,20-6-1-2-7-20)24-10-5-17-33-24/h4-5,9-10,16-17,19-20,22,30H,1-3,6-8,11-15,18H2/q+1