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

Systemtic Name: ethanedioic acid; 1-[(4-ethylphenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-[(4-ethylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(4-ethylphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(4-ethylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(4-ethylbenzyl)piperazine; oxalic acid Formula: C27H37N3O4 MolecularWeight: 467.60038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H35N3.C2H2O4/c1-2-22-8-10-24(11-9-22)21-27-16-18-28(19-17-27)25-12-14-26(15-13-25)20-23-6-4-3-5-7-23;3-1(4)2(5)6/h3-11,25H,2,12-21H2,1H3;(H,3,4)(H,5,6)