N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-21-6-8-22(9-7-21)16(24)11-18-15(23)10-14-12-4-2-3-5-13(12)17(25)20-19-14/h2-5H,6-11H2,1H3,(H,18,23)(H,20,25)/p+1