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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-3-phenyl-2-thiophen-2-yl-propanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-3-phenyl-2-(2-thienyl)propanoate CAS Name: 2-hydroxy-3-phenyl-2-thiophen-2-ylpropanoic 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-3-phenyl-2-thiophen-2-ylpropanoate Traditional Name: 2-hydroxy-3-phenyl-2-(2-thienyl)propionic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C29H34NO4S+ MolecularWeight: 492.64956

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(CC3=CC=CC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C29H34NO4S/c31-28(29(32,27-13-7-20-35-27)21-23-9-3-1-4-10-23)34-26-22-30(17-14-24(26)15-18-30)16-8-19-33-25-11-5-2-6-12-25/h1-7,9-13,20,24,26,32H,8,14-19,21-22H2/q+1