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

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-methoxypyridin-3-yl)piperazine Openeye Name: fumaric acid; 1-(5-methoxy-3-pyridyl)piperazine CAS Name: (E)-2-butenedioic acid; 1-(5-methoxy-3-pyridinyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-methoxypyridin-3-yl)piperazine Traditional Name: fumaric acid; 1-(5-methoxy-3-pyridyl)piperazine Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CC(=C1)N2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CN=CC(=C1)N2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15N3O.C4H4O4/c1-14-10-6-9(7-12-8-10)13-4-2-11-3-5-13;5-3(6)1-2-4(7)8/h6-8,11H,2-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+