2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(5-bromanylthiophen-2-yl)ethanone

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(5-bromanylthiophen-2-yl)ethanone Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(5-bromo-2-thienyl)ethanone CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(5-bromo-2-thiophenyl)ethanone IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(5-bromothiophen-2-yl)ethanone Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(5-bromo-2-thienyl)ethanone Formula: C12H16BrN2OS+ MolecularWeight: 316.23724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C12H16BrN2OS/c13-12-2-1-11(17-12)10(16)9-15-6-3-14(4-7-15)5-8-15/h1-2H,3-9H2/q+1