(E)-but-2-enedioic acid; 1-(4-fluorophenyl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)piperazine Openeye Name: 1-(4-fluorophenyl)piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-fluorophenyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(4-fluorophenyl)piperazine Traditional Name: 1-(4-fluorophenyl)piperazine; fumaric acid Formula: C14H17FN2O4 MolecularWeight: 296.294183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H13FN2.C4H4O4/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;5-3(6)1-2-4(7)8/h1-4,12H,5-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+