1-(6-bromanylpyridin-3-yl)-1,5-diazocane; (E)-but-2-enedioic acid

Systemtic Name: 1-(6-bromanylpyridin-3-yl)-1,5-diazocane; (E)-but-2-enedioic acid Openeye Name: 1-(6-bromo-3-pyridyl)-1,5-diazocane; fumaric acid CAS Name: 1-(6-bromo-3-pyridinyl)-1,5-diazocane; (E)-2-butenedioic acid IUPAC Name: 1-(6-bromopyridin-3-yl)-1,5-diazocane; (E)-but-2-enedioic acid Traditional Name: 1-(6-bromo-3-pyridyl)-1,5-diazocane; fumaric acid Formula: C15H20BrN3O4 MolecularWeight: 386.241

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(C1)C2=CN=C(C=C2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCCN(C1)C2=CN=C(C=C2)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H16BrN3.C4H4O4/c12-11-4-3-10(9-14-11)15-7-1-5-13-6-2-8-15;5-3(6)1-2-4(7)8/h3-4,9,13H,1-2,5-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+