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

Systemtic Name: 4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]-ethyl-amino]butylazanium Openeye Name: 4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethyl-amino]butylammonium CAS Name: 4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butylammonium IUPAC Name: 4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butylazanium Traditional Name: 4-[(1,4-diketo-2,3-dihydrophthalazin-6-yl)-ethyl-amino]butylammonium Formula: C14H21N4O2+ MolecularWeight: 277.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20)/p+1