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

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c24-18-17-15(14-4-2-1-3-5-14)13-25-19(17)21-16(20-18)12-23-9-6-22(7-10-23)8-11-23/h1-5,13H,6-12H2/p+1