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

Systemtic Name: [1-[3-(3-cyanophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-(3-cyanophenoxy)propyl]quinuclidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetic acid [1-[3-(3-cyanophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[3-(3-cyanophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-(2-thienyl)acetic acid [1-[3-(3-cyanophenoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C29H37N2O4S+ MolecularWeight: 509.68008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC(=C5)C#N)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC(=C5)C#N)O

InChI

InChI=1S/C29H37N2O4S/c30-20-22-7-4-10-25(19-22)34-17-6-14-31-15-12-23(13-16-31)26(21-31)35-28(32)29(33,27-11-5-18-36-27)24-8-2-1-3-9-24/h4-5,7,10-11,18-19,23-24,26,33H,1-3,6,8-9,12-17,21H2/q+1