2-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 4-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C20H26N5O4+ MolecularWeight: 400.45154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O4/c1-22-19(27)16-5-3-2-4-15(16)18(21-22)20(28)25-8-6-23(7-9-25)14-17(26)24-10-12-29-13-11-24/h2-5H,6-14H2,1H3/p+1