4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]amino]butylazanium

Systemtic Name: 4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]amino]butylazanium Openeye Name: 4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]butylammonium CAS Name: 4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]butylammonium IUPAC Name: 4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)amino]butylazanium Traditional Name: 4-[(1,4-diketo-2,3-dihydrophthalazin-6-yl)amino]butylammonium Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NCCCC[NH3+])C(=O)NNC2=O

Isomeric SMILES

C1=CC2=C(C=C1NCCCC[NH3+])C(=O)NNC2=O

InChI

InChI=1S/C12H16N4O2/c13-5-1-2-6-14-8-3-4-9-10(7-8)12(18)16-15-11(9)17/h3-4,7,14H,1-2,5-6,13H2,(H,15,17)(H,16,18)/p+1