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

Systemtic Name: [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2R)-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-(3-phenylpropyl)quinuclidin-1-ium-2-yl] (2R)-2-hydroxy-2-phenyl-2-(2-thienyl)acetate CAS Name: (2R)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-phenylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2R)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate Traditional Name: (2R)-2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid [1-(3-phenylpropyl)quinuclidin-1-ium-2-yl] ester Formula: C28H32NO3S+ MolecularWeight: 462.62358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)[C@](C3=CC=CC=C3)(C4=CC=CS4)O)CCCC5=CC=CC=C5

InChI

InChI=1S/C28H32NO3S/c30-27(28(31,25-14-8-20-33-25)24-12-5-2-6-13-24)32-26-21-23-15-18-29(26,19-16-23)17-7-11-22-9-3-1-4-10-22/h1-6,8-10,12-14,20,23,26,31H,7,11,15-19,21H2/q+1/t23?,26?,28-,29?/m0/s1