2-oxidanyl-N-[(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl]-2,2-dithiophen-2-yl-ethanamide bromide

Systemtic Name: 2-oxidanyl-N-[(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl]-2,2-dithiophen-2-yl-ethanamide bromide Openeye Name: 2-hydroxy-N-[(3R)-1-phenethylquinuclidin-1-ium-3-yl]-2,2-bis(2-thienyl)acetamide bromide CAS Name: 2-hydroxy-N-[(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl]-2,2-dithiophen-2-ylacetamide bromide IUPAC Name: 2-hydroxy-N-[(3R)-1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl]-2,2-dithiophen-2-ylacetamide bromide Traditional Name: 2-hydroxy-N-[(3R)-1-phenethylquinuclidin-1-ium-3-yl]-2,2-bis(2-thienyl)acetamide bromide Formula: C25H29BrN2O2S2 MolecularWeight: 533.54396

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)NC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)NC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H28N2O2S2.BrH/c28-24(25(29,22-8-4-16-30-22)23-9-5-17-31-23)26-21-18-27(14-11-20(21)12-15-27)13-10-19-6-2-1-3-7-19;/h1-9,16-17,20-21,29H,10-15,18H2;1H/t20?,21-,27?;/m0./s1