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

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] ester Formula: C28H38NO3S+ MolecularWeight: 468.67122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC5=CC=CS5)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3C[N+]4(CCC3CC4)CCCC5=CC=CS5)O

InChI

InChI=1S/C28H38NO3S/c30-27(28(31,23-9-3-1-4-10-23)24-11-5-2-6-12-24)32-26-21-29(18-15-22(26)16-19-29)17-7-13-25-14-8-20-33-25/h1,3-4,8-10,14,20,22,24,26,31H,2,5-7,11-13,15-19,21H2/q+1