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

Systemtic Name: (E)-but-2-enedioic acid; 1-(6-fluoranyl-1-benzothiophen-3-yl)piperazine Openeye Name: 1-(6-fluorobenzothiophen-3-yl)piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(6-fluoro-1-benzothiophen-3-yl)piperazine IUPAC Name: (E)-but-2-enedioic acid; 1-(6-fluoro-1-benzothiophen-3-yl)piperazine Traditional Name: 1-(6-fluorobenzothiophen-3-yl)piperazine; fumaric acid Formula: C16H17FN2O4S MolecularWeight: 352.380583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CSC3=C2C=CC(=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CSC3=C2C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H13FN2S.C4H4O4/c13-9-1-2-10-11(8-16-12(10)7-9)15-5-3-14-4-6-15;5-3(6)1-2-4(7)8/h1-2,7-8,14H,3-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+