6,7-dimethoxy-2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C23H20N3O4+ MolecularWeight: 402.4226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H19N3O4/c1-29-19-12-17-18(13-20(19)30-2)24-21(25-23(17)28)14-26-10-8-16(9-11-26)22(27)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3/p+1