3-[4-(4-acetamidophenyl)piperazin-1-ium-1-yl]propyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-[4-(4-acetamidophenyl)piperazin-1-ium-1-yl]propyl-dimethyl-azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-[4-(4-acetamidophenyl)piperazin-1-ium-1-yl]propyl-dimethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-[4-(4-acetamidophenyl)-1-piperazin-1-iumyl]propyl-dimethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-[4-(4-acetamidophenyl)piperazin-1-ium-1-yl]propyl-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-[4-(4-acetamidophenyl)piperazin-1-ium-1-yl]propyl-dimethyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C25H36N4O9 MolecularWeight: 536.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CCC[NH+](C)C.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N2CC[NH+](CC2)CCC[NH+](C)C.C(=C/C(=O)[O-])\C(=O)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H28N4O.2C4H4O4/c1-15(22)18-16-5-7-17(8-6-16)21-13-11-20(12-14-21)10-4-9-19(2)3;2*5-3(6)1-2-4(7)8/h5-8H,4,9-14H2,1-3H3,(H,18,22);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+