5-(6-azaniumylhexanoylamino)-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-(6-azaniumylhexanoylamino)-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-(6-azaniumylhexanoylamino)-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[(6-ammonio-1-oxohexyl)amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-(6-azaniumylhexanoylamino)-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-(6-ammoniohexanoylamino)-4-keto-3H-phthalazin-1-olate Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CCCCC[NH3+])C(=O)NN=C2[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CCCCC[NH3+])C(=O)NN=C2[O-]

InChI

InChI=1S/C14H18N4O3/c15-8-3-1-2-7-11(19)16-10-6-4-5-9-12(10)14(21)18-17-13(9)20/h4-6H,1-3,7-8,15H2,(H,16,19)(H,17,20)(H,18,21)