2-(4-methylpyridin-1-ium-2-yl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione

Systemtic Name: 2-(4-methylpyridin-1-ium-2-yl)-5-(4-oxidanylidene-3,1-benzoxazin-2-yl)isoindole-1,3-dione Openeye Name: 2-(4-methylpyridin-1-ium-2-yl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindoline-1,3-dione CAS Name: 2-(4-methyl-2-pyridin-1-iumyl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione IUPAC Name: 2-(4-methylpyridin-1-ium-2-yl)-5-(4-oxo-3,1-benzoxazin-2-yl)isoindole-1,3-dione Traditional Name: 5-(4-keto-3,1-benzoxazin-2-yl)-2-(4-methylpyridin-1-ium-2-yl)isoindoline-1,3-quinone Formula: C22H14N3O4+ MolecularWeight: 384.36426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H13N3O4/c1-12-8-9-23-18(10-12)25-20(26)14-7-6-13(11-16(14)21(25)27)19-24-17-5-3-2-4-15(17)22(28)29-19/h2-11H,1H3/p+1