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

Systemtic Name: [1-(3-phenylsulfanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-(3-phenylsulfanylpropyl)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-[3-(phenylthio)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenylsulfanylpropyl)-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-[3-(phenylthio)propyl]quinuclidin-1-ium-3-yl] ester Formula: C27H36NO3S2+ MolecularWeight: 486.70964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCSC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCSC5=CC=CC=C5)O

InChI

InChI=1S/C27H36NO3S2/c29-26(27(30,22-8-4-5-9-22)25-12-6-18-33-25)31-24-20-28(16-13-21(24)14-17-28)15-7-19-32-23-10-2-1-3-11-23/h1-3,6,10-12,18,21-22,24,30H,4-5,7-9,13-17,19-20H2/q+1