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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic 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-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-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=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

InChI

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