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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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