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

Systemtic Name: [1-[3-(4-methoxyphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-(4-methoxyphenoxy)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-methoxyphenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[3-(4-methoxyphenoxy)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-methoxyphenoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C28H38NO5S+ MolecularWeight: 500.67002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4CCCC4)(C5=CC=CS5)O

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4CCCC4)(C5=CC=CS5)O

InChI

InChI=1S/C28H38NO5S/c1-32-23-9-11-24(12-10-23)33-18-5-15-29-16-13-21(14-17-29)25(20-29)34-27(30)28(31,22-6-2-3-7-22)26-8-4-19-35-26/h4,8-12,19,21-22,25,31H,2-3,5-7,13-18,20H2,1H3/q+1