6-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one chloride

Systemtic Name: 6-[2-(3-oxidanylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one chloride Openeye Name: 6-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride CAS Name: 6-[2-(3-hydroxy-1-pyridin-1-iumyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one chloride IUPAC Name: 6-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride Traditional Name: 6-[2-(3-hydroxypyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)O.[Cl-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)O.[Cl-]

InChI

InChI=1S/C15H12N2O4.ClH/c18-11-2-1-5-17(7-11)8-13(19)10-3-4-14-12(6-10)16-15(20)9-21-14;/h1-7H,8-9H2,(H-,16,18,20);1H