7-chloranyl-2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one chloride

Systemtic Name: 7-chloranyl-2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one chloride Openeye Name: 7-chloro-2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one chloride CAS Name: 7-chloro-2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-1H-quinazolin-4-one chloride IUPAC Name: 7-chloro-2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one chloride Traditional Name: 7-chloro-2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one chloride Formula: C14H11Cl2N3O2 MolecularWeight: 324.16204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)O.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)O.[Cl-]

InChI

InChI=1S/C14H10ClN3O2.ClH/c15-9-3-4-11-12(6-9)16-13(17-14(11)20)8-18-5-1-2-10(19)7-18;/h1-7H,8H2,(H-,16,17,19,20);1H