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

Systemtic Name: 6-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H17N2O4+ MolecularWeight: 373.38138

Click to see the large picture

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

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

InChI

InChI=1S/C22H16N2O4/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/p+1