4-oxidanylidene-5-(piperidin-1-ium-4-ylcarbonylamino)-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-5-(piperidin-1-ium-4-ylcarbonylamino)-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-(piperidin-1-ium-4-carbonylamino)-3H-phthalazin-1-olate CAS Name: 4-oxo-5-[[oxo(4-piperidin-1-iumyl)methyl]amino]-3H-phthalazin-1-olate IUPAC Name: 4-oxo-5-(piperidin-1-ium-4-carbonylamino)-3H-phthalazin-1-olate Traditional Name: 4-keto-5-(piperidin-1-ium-4-carbonylamino)-3H-phthalazin-1-olate Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

Isomeric SMILES

C1C[NH2+]CCC1C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

InChI

InChI=1S/C14H16N4O3/c19-12(8-4-6-15-7-5-8)16-10-3-1-2-9-11(10)14(21)18-17-13(9)20/h1-3,8,15H,4-7H2,(H,16,19)(H,17,20)(H,18,21)