methyl 4-oxidanylidene-2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H18N3O4+ MolecularWeight: 400.40672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17N3O4/c1-30-23(29)17-7-8-18-19(13-17)24-20(25-22(18)28)14-26-11-9-16(10-12-26)21(27)15-5-3-2-4-6-15/h2-13H,14H2,1H3/p+1