1-(5-bromanyl-6-chloranyl-pyridin-3-yl)piperazine; (E)-but-2-enedioic acid

Systemtic Name: 1-(5-bromanyl-6-chloranyl-pyridin-3-yl)piperazine; (E)-but-2-enedioic acid Openeye Name: 1-(5-bromo-6-chloro-3-pyridyl)piperazine; fumaric acid CAS Name: 1-(5-bromo-6-chloro-3-pyridinyl)piperazine; (E)-2-butenedioic acid IUPAC Name: 1-(5-bromo-6-chloropyridin-3-yl)piperazine; (E)-but-2-enedioic acid Traditional Name: 1-(5-bromo-6-chloro-3-pyridyl)piperazine; fumaric acid Formula: C13H15BrClN3O4 MolecularWeight: 392.6329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(N=C2)Cl)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(N=C2)Cl)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H11BrClN3.C4H4O4/c10-8-5-7(6-13-9(8)11)14-3-1-12-2-4-14;5-3(6)1-2-4(7)8/h5-6,12H,1-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1+