ethanedioic acid; 1-[(2-methylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-[(2-methylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-(o-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(2-methylphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(2-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(2-methylbenzyl)piperazine; oxalic acid Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33N3.C2H2O4/c1-21-7-5-6-10-23(21)20-26-15-17-27(18-16-26)24-11-13-25(14-12-24)19-22-8-3-2-4-9-22;3-1(4)2(5)6/h2-10,24H,11-20H2,1H3;(H,3,4)(H,5,6)