ethanedioic acid; 1-pentan-3-yl-4-(pyridin-2-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-pentan-3-yl-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-(1-ethylpropyl)-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: oxalic acid; 1-pentan-3-yl-4-(2-pyridinylmethyl)piperazine IUPAC Name: oxalic acid; 1-pentan-3-yl-4-(pyridin-2-ylmethyl)piperazine Traditional Name: 1-(1-ethylpropyl)-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)CC2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)CC2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

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