3-pyridin-1-ium-2-yl-2H-phthalazine-1,4-dione

Systemtic Name: 3-pyridin-1-ium-2-yl-2H-phthalazine-1,4-dione Openeye Name: 3-pyridin-1-ium-2-yl-2H-phthalazine-1,4-dione CAS Name: 3-(2-pyridin-1-iumyl)-2H-phthalazine-1,4-dione IUPAC Name: 3-pyridin-1-ium-2-yl-2H-phthalazine-1,4-dione Traditional Name: 3-pyridin-1-ium-2-yl-2H-phthalazine-1,4-quinone Formula: C13H10N3O2+ MolecularWeight: 240.2374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H9N3O2/c17-12-9-5-1-2-6-10(9)13(18)16(15-12)11-7-3-4-8-14-11/h1-8H,(H,15,17)/p+1