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

Systemtic Name: 7-chloranyl-2-[[4-(phenylcarbonyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[(4-benzoyl-1-pyridin-1-iumyl)methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[(4-benzoylpyridin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Formula: C21H15ClN3O2+ MolecularWeight: 376.8157

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O2/c22-16-6-7-17-18(12-16)23-19(24-21(17)27)13-25-10-8-15(9-11-25)20(26)14-4-2-1-3-5-14/h1-12H,13H2/p+1