ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-methylphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(3-methylbenzyl)piperazine; oxalic acid Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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