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

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2S)-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-2-yl] (2S)-2-hydroxy-2-phenyl-2-(2-thienyl)acetate CAS Name: (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2S)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-2-yl] ester Formula: C26H30NO3S2+ MolecularWeight: 468.6513

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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=CS5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)[C@@](C3=CC=CC=C3)(C4=CC=CS4)O)CCCC5=CC=CS5

InChI

InChI=1S/C26H30NO3S2/c28-25(26(29,23-11-6-18-32-23)21-7-2-1-3-8-21)30-24-19-20-12-15-27(24,16-13-20)14-4-9-22-10-5-17-31-22/h1-3,5-8,10-11,17-18,20,24,29H,4,9,12-16,19H2/q+1/t20?,24?,26-,27?/m1/s1