1-(6-bromanylpyridin-3-yl)piperazine; (E)-but-2-enedioic acid

Systemtic Name: 1-(6-bromanylpyridin-3-yl)piperazine; (E)-but-2-enedioic acid Openeye Name: 1-(6-bromo-3-pyridyl)piperazine; fumaric acid CAS Name: 1-(6-bromo-3-pyridinyl)piperazine; (E)-2-butenedioic acid IUPAC Name: 1-(6-bromopyridin-3-yl)piperazine; (E)-but-2-enedioic acid Traditional Name: 1-(6-bromo-3-pyridyl)piperazine; fumaric acid Formula: C13H16BrN3O4 MolecularWeight: 358.18784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=C(C=C2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CN=C(C=C2)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H12BrN3.C4H4O4/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13;5-3(6)1-2-4(7)8/h1-2,7,11H,3-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+