ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-[(4-ethylphenyl)methyl]-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-ethylbenzyl)-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3.C2H2O4/c1-2-17-3-5-18(6-4-17)15-21-11-13-22(14-12-21)16-19-7-9-20-10-8-19;3-1(4)2(5)6/h3-10H,2,11-16H2,1H3;(H,3,4)(H,5,6)