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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2-thiophen-2-yl-2-thiophen-3-yl-ethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 2-hydroxy-2-(2-thienyl)-2-(3-thienyl)acetate CAS Name: 2-hydroxy-2-thiophen-2-yl-2-(3-thiophenyl)acetic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate Traditional Name: 2-hydroxy-2-(2-thienyl)-2-(3-thienyl)acetic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C26H30NO4S2+ MolecularWeight: 484.6507

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C26H30NO4S2/c28-24(26(29,21-9-19-32-20-21)23-8-4-18-33-23)31-25-10-14-27(15-11-25,16-12-25)13-5-17-30-22-6-2-1-3-7-22/h1-4,6-9,18-20,29H,5,10-17H2/q+1