ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine Openeye Name: 1-(m-tolylmethyl)-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(3-methylbenzyl)-4-(4-pyridylmethyl)piperazine; oxalic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3.C2H2O4/c1-16-3-2-4-18(13-16)15-21-11-9-20(10-12-21)14-17-5-7-19-8-6-17;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)