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

Systemtic Name: [1-(2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2R)-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[2-(2-thienyl)ethyl]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-(2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(2-thiophen-2-ylethyl)-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-[2-(2-thienyl)ethyl]quinuclidin-1-ium-2-yl] ester Formula: C25H28NO3S2+ MolecularWeight: 454.62472

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O)CCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)[C@](C3=CC=CC=C3)(C4=CC=CS4)O)CCC5=CC=CS5

InChI

InChI=1S/C25H28NO3S2/c27-24(25(28,22-9-5-17-31-22)20-6-2-1-3-7-20)29-23-18-19-10-13-26(23,14-11-19)15-12-21-8-4-16-30-21/h1-9,16-17,19,23,28H,10-15,18H2/q+1/t19?,23?,25-,26?/m0/s1