(E)-but-2-enedioic acid; 1-(5-ethynylpyridin-3-yl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-ethynylpyridin-3-yl)piperazine Openeye Name: 1-(5-ethynyl-3-pyridyl)piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-ethynyl-3-pyridinyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-ethynylpyridin-3-yl)piperazine Traditional Name: 1-(5-ethynyl-3-pyridyl)piperazine; fumaric acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1)N2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C#CC1=CC(=CN=C1)N2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H13N3.C4H4O4/c1-2-10-7-11(9-13-8-10)14-5-3-12-4-6-14;5-3(6)1-2-4(7)8/h1,7-9,12H,3-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+