ethanedioic acid; 1-pentan-3-yl-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-pentan-3-yl-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-(1-ethylpropyl)-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: oxalic acid; 1-pentan-3-yl-4-(3-pyridinylmethyl)piperazine IUPAC Name: oxalic acid; 1-pentan-3-yl-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-(1-ethylpropyl)-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C17H27N3O4 MolecularWeight: 337.41398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3.C2H2O4/c1-3-15(4-2)18-10-8-17(9-11-18)13-14-6-5-7-16-12-14;3-1(4)2(5)6/h5-7,12,15H,3-4,8-11,13H2,1-2H3;(H,3,4)(H,5,6)