1,4-bis[(3-methylphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1,4-bis[(3-methylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1,4-bis(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1,4-bis[(3-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1,4-bis[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1,4-bis(3-methylbenzyl)piperazine; oxalic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2.C2H2O4/c1-17-5-3-7-19(13-17)15-21-9-11-22(12-10-21)16-20-8-4-6-18(2)14-20;3-1(4)2(5)6/h3-8,13-14H,9-12,15-16H2,1-2H3;(H,3,4)(H,5,6)