4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propyl]-1-phthalazinone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 4-ethyl-2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propyl]phthalazin-1-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C27H36N4O10 MolecularWeight: 576.59554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=CC=CC=C21)CCC[NH+]3CC[NH+](CC3)CCO.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCC1=NN(C(=O)C2=CC=CC=C12)CCC[NH+]3CC[NH+](CC3)CCO.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H28N4O2.2C4H4O4/c1-2-18-16-6-3-4-7-17(16)19(25)23(20-18)9-5-8-21-10-12-22(13-11-21)14-15-24;2*5-3(6)1-2-4(7)8/h3-4,6-7,24H,2,5,8-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-