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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] (2S)-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-(3-phenoxypropyl)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-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-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-phenoxypropyl)quinuclidin-1-ium-2-yl] ester Formula: C28H32NO4S+ MolecularWeight: 478.62298

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)[C@@](C3=CC=CC=C3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

InChI

InChI=1S/C28H32NO4S/c30-27(28(31,25-13-7-20-34-25)23-9-3-1-4-10-23)33-26-21-22-14-17-29(26,18-15-22)16-8-19-32-24-11-5-2-6-12-24/h1-7,9-13,20,22,26,31H,8,14-19,21H2/q+1/t22?,26?,28-,29?/m1/s1