[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-4-phenyl-2-thiophen-2-yl-butanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-4-phenyl-2-thiophen-2-yl-butanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-4-phenyl-2-(2-thienyl)butanoate CAS Name: 2-hydroxy-4-phenyl-2-thiophen-2-ylbutanoic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-4-phenyl-2-thiophen-2-ylbutanoate Traditional Name: 2-hydroxy-4-phenyl-2-(2-thienyl)butyric acid [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C30H36NO4S+ MolecularWeight: 506.67614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(CCC3=CC=CC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(CCC3=CC=CC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C30H36NO4S/c32-29(30(33,28-13-7-22-36-28)17-14-24-9-3-1-4-10-24)35-27-23-31(19-15-25(27)16-20-31)18-8-21-34-26-11-5-2-6-12-26/h1-7,9-13,22,25,27,33H,8,14-21,23H2/q+1