4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2H-phthalazin-1-one Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H18N4O2/c1-18-6-8-19(9-7-18)14(20)10-13-11-4-2-3-5-12(11)15(21)17-16-13/h2-5H,6-10H2,1H3,(H,17,21)/p+1