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

Systemtic Name: (E)-but-2-enedioic acid; 1-(5-chloranyl-6-methyl-pyridin-3-yl)piperazine Openeye Name: 1-(5-chloro-6-methyl-3-pyridyl)piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(5-chloro-6-methyl-3-pyridinyl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(5-chloro-6-methylpyridin-3-yl)piperazine Traditional Name: 1-(5-chloro-6-methyl-3-pyridyl)piperazine; fumaric acid Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=N1)N2CCNCC2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=N1)N2CCNCC2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H14ClN3.C4H4O4/c1-8-10(11)6-9(7-13-8)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+