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

Systemtic Name: 1-(6-bromanyl-5-methoxy-pyridin-3-yl)piperazine; (E)-but-2-enedioic acid Openeye Name: 1-(6-bromo-5-methoxy-3-pyridyl)piperazine; fumaric acid CAS Name: 1-(6-bromo-5-methoxy-3-pyridinyl)piperazine; (E)-2-butenedioic acid IUPAC Name: 1-(6-bromo-5-methoxypyridin-3-yl)piperazine; (E)-but-2-enedioic acid Traditional Name: 1-(6-bromo-5-methoxy-3-pyridyl)piperazine; fumaric acid Formula: C14H18BrN3O5 MolecularWeight: 388.21382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC(=C1)N2CCNCC2)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H14BrN3O.C4H4O4/c1-15-9-6-8(7-13-10(9)11)14-4-2-12-3-5-14;5-3(6)1-2-4(7)8/h6-7,12H,2-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+