2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H19N4OS2+ MolecularWeight: 359.48896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C17H18N4OS2/c22-16-15-12(13-2-1-9-23-13)11-24-17(15)19-14(18-16)10-21-6-3-20(4-7-21)5-8-21/h1-2,9,11H,3-8,10H2/p+1