4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)carbonyl-2H-phthalazin-1-one Openeye Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2H-phthalazin-1-one CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2H-phthalazin-1-one Traditional Name: 4-(4-methylpiperazin-4-ium-1-carbonyl)-2H-phthalazin-1-one Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C14H16N4O2/c1-17-6-8-18(9-7-17)14(20)12-10-4-2-3-5-11(10)13(19)16-15-12/h2-5H,6-9H2,1H3,(H,16,19)/p+1