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

Systemtic Name: 2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-phenyl-1-pyridin-1-iumyl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-phenylpyridin-1-ium-1-yl)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H14N3OS+ MolecularWeight: 320.38826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3OS/c22-18-17-15(8-10-23-17)19-16(20-18)12-21-9-4-7-14(11-21)13-5-2-1-3-6-13/h1-11H,12H2/p+1