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

Systemtic Name: [1-[3-(4-nitrophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-(4-nitrophenoxy)propyl]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-(4-nitrophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[3-(4-nitrophenoxy)propyl]-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-(4-nitrophenoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C27H35N2O6S+ MolecularWeight: 515.6416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C27H35N2O6S/c30-26(27(31,21-5-1-2-6-21)25-7-3-18-36-25)35-24-19-29(15-12-20(24)13-16-29)14-4-17-34-23-10-8-22(9-11-23)28(32)33/h3,7-11,18,20-21,24,31H,1-2,4-6,12-17,19H2/q+1