ethanedioic acid; (2S,5S)-1-(5-fluoranyl-1-benzofuran-7-yl)-2,5-dimethyl-piperazine

Systemtic Name: ethanedioic acid; (2S,5S)-1-(5-fluoranyl-1-benzofuran-7-yl)-2,5-dimethyl-piperazine Openeye Name: (2S,5S)-1-(5-fluorobenzofuran-7-yl)-2,5-dimethyl-piperazine; oxalic acid CAS Name: (2S,5S)-1-(5-fluoro-7-benzofuranyl)-2,5-dimethylpiperazine; oxalic acid IUPAC Name: (2S,5S)-1-(5-fluoro-1-benzofuran-7-yl)-2,5-dimethylpiperazine; oxalic acid Traditional Name: (2S,5S)-1-(5-fluorobenzofuran-7-yl)-2,5-dimethyl-piperazine; oxalic acid Formula: C16H19FN2O5 MolecularWeight: 338.330863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=C3C(=CC(=C2)F)C=CO3)C.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H]1CN[C@H](CN1C2=C3C(=CC(=C2)F)C=CO3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H17FN2O.C2H2O4/c1-9-8-17(10(2)7-16-9)13-6-12(15)5-11-3-4-18-14(11)13;3-1(4)2(5)6/h3-6,9-10,16H,7-8H2,1-2H3;(H,3,4)(H,5,6)/t9-,10-;/m0./s1