4-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2H-phthalazin-1-one Openeye Name: 4-[(1-oxidopyridin-1-ium-4-yl)methyl]-2H-phthalazin-1-one CAS Name: 4-[(1-oxido-4-pyridin-1-iumyl)methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(1-oxidopyridin-1-ium-4-yl)methyl]-2H-phthalazin-1-one Traditional Name: 4-[(1-oxidopyridin-1-ium-4-yl)methyl]-2H-phthalazin-1-one Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C14H11N3O2/c18-14-12-4-2-1-3-11(12)13(15-16-14)9-10-5-7-17(19)8-6-10/h1-8H,9H2,(H,16,18)