3-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]ethyl]-2H-phthalazine-1,4-quinone Formula: C20H26N5O5+ MolecularWeight: 416.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H25N5O5/c26-17(24-9-11-30-12-10-24)13-22-5-7-23(8-6-22)18(27)14-25-20(29)16-4-2-1-3-15(16)19(28)21-25/h1-4H,5-14H2,(H,21,28)/p+1