1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-methyl-piperazine; oxalic acid Formula: C14H18ClFN2O4 MolecularWeight: 332.755123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC=C2Cl)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC=C2Cl)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16ClFN2.C2H2O4/c1-15-5-7-16(8-6-15)9-10-11(13)3-2-4-12(10)14;3-1(4)2(5)6/h2-4H,5-9H2,1H3;(H,3,4)(H,5,6)