ethanedioic acid; 1-(phenylmethyl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-benzyl-4-[1-(3-pyridylmethyl)-4-piperidyl]piperazine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)-4-[1-(3-pyridinylmethyl)-4-piperidinyl]piperazine IUPAC Name: 1-benzyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[1-(3-pyridylmethyl)-4-piperidyl]piperazine; oxalic acid Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)CC4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N4.C2H2O4/c1-2-5-20(6-3-1)18-25-13-15-26(16-14-25)22-8-11-24(12-9-22)19-21-7-4-10-23-17-21;3-1(4)2(5)6/h1-7,10,17,22H,8-9,11-16,18-19H2;(H,3,4)(H,5,6)