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

Systemtic Name: 6-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one chloride Openeye Name: 6-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride CAS Name: 6-[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one chloride IUPAC Name: 6-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride Traditional Name: 6-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one chloride Formula: C22H17ClN2O4 MolecularWeight: 408.83438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H16N2O4.ClH/c25-19(17-6-7-20-18(12-17)23-21(26)14-28-20)13-24-10-8-16(9-11-24)22(27)15-4-2-1-3-5-15;/h1-12H,13-14H2;1H