ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-pentan-3-yl-piperazine

Systemtic Name: ethanedioic acid; 1-[(3-fluorophenyl)methyl]-4-pentan-3-yl-piperazine Openeye Name: 1-(1-ethylpropyl)-4-[(3-fluorophenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-fluorophenyl)methyl]-4-pentan-3-ylpiperazine; oxalic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-pentan-3-ylpiperazine; oxalic acid Traditional Name: 1-(1-ethylpropyl)-4-(3-fluorobenzyl)piperazine; oxalic acid Formula: C18H27FN2O4 MolecularWeight: 354.416383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)CC2=CC(=CC=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)CC2=CC(=CC=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25FN2.C2H2O4/c1-3-16(4-2)19-10-8-18(9-11-19)13-14-6-5-7-15(17)12-14;3-1(4)2(5)6/h5-7,12,16H,3-4,8-11,13H2,1-2H3;(H,3,4)(H,5,6)