5-[6-azaniumylhexyl(ethyl)amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[6-azaniumylhexyl(ethyl)amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[6-azaniumylhexyl(ethyl)amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[6-ammoniohexyl(ethyl)amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[6-azaniumylhexyl(ethyl)amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[6-ammoniohexyl(ethyl)amino]-4-keto-3H-phthalazin-1-olate Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCCC[NH3+])C1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

CCN(CCCCCC[NH3+])C1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C16H24N4O2/c1-2-20(11-6-4-3-5-10-17)13-9-7-8-12-14(13)16(22)19-18-15(12)21/h7-9H,2-6,10-11,17H2,1H3,(H,18,21)(H,19,22)