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

Systemtic Name: [1-[3-(2-chloranylphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-(2-chlorophenoxy)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-(2-chlorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[3-(2-chlorophenoxy)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-(2-chlorophenoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C27H35ClNO4S+ MolecularWeight: 505.0891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5Cl)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC=C5Cl)O

InChI

InChI=1S/C27H35ClNO4S/c28-22-9-3-4-10-23(22)32-17-6-14-29-15-12-20(13-16-29)24(19-29)33-26(30)27(31,21-7-1-2-8-21)25-11-5-18-34-25/h3-5,9-11,18,20-21,24,31H,1-2,6-8,12-17,19H2/q+1