2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C19H14N3O2S+ MolecularWeight: 348.39836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=[N+](C=C2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C19H13N3O2S/c23-17(13-4-2-1-3-5-13)14-6-9-22(10-7-14)12-16-20-15-8-11-25-18(15)19(24)21-16/h1-11H,12H2/p+1