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

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2R)-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-(2-phenoxyethyl)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-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-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-phenoxyethyl)quinuclidin-1-ium-2-yl] ester Formula: C27H30NO4S+ MolecularWeight: 464.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O)CCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)[C@](C3=CC=CC=C3)(C4=CC=CS4)O)CCOC5=CC=CC=C5

InChI

InChI=1S/C27H30NO4S/c29-26(27(30,24-12-7-19-33-24)22-8-3-1-4-9-22)32-25-20-21-13-15-28(25,16-14-21)17-18-31-23-10-5-2-6-11-23/h1-12,19,21,25,30H,13-18,20H2/q+1/t21?,25?,27-,28?/m0/s1