4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-phthalazin-1-one Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CCO

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C22H24N4O3/c1-24-22(29)19-5-3-2-4-18(19)20(23-24)16-6-8-17(9-7-16)21(28)26-12-10-25(11-13-26)14-15-27/h2-9,27H,10-15H2,1H3/p+1