1-azabicyclo[2.2.2]octan-3-yl 2-(4-bromophenyl)-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-bromophenyl)-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: quinuclidin-3-yl 2-(4-bromophenyl)-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-(4-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-(4-bromophenyl)-2-hydroxy-2-(2-thienyl)acetic acid quinuclidin-3-yl ester Formula: C19H20BrNO3S MolecularWeight: 422.336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(C3=CC=C(C=C3)Br)(C4=CC=CS4)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C3=CC=C(C=C3)Br)(C4=CC=CS4)O

InChI

InChI=1S/C19H20BrNO3S/c20-15-5-3-14(4-6-15)19(23,17-2-1-11-25-17)18(22)24-16-12-21-9-7-13(16)8-10-21/h1-6,11,13,16,23H,7-10,12H2