(E)-but-2-enedioic acid; N-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: (E)-but-2-enedioic acid; N-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: (E)-but-2-enedioic acid; N-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-(4-methylpiperazino)acetamide; fumaric acid Formula: C23H32N4O9 MolecularWeight: 508.52158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N(C)C.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H24N4O.2C4H4O4/c1-17(2)14-6-4-13(5-7-14)16-15(20)12-19-10-8-18(3)9-11-19;2*5-3(6)1-2-4(7)8/h4-7H,8-12H2,1-3H3,(H,16,20);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+