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

Systemtic Name: ethanedioic acid; 1-phenyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine Openeye Name: oxalic acid; 1-phenyl-4-[1-(3-pyridylmethyl)-4-piperidyl]piperazine CAS Name: oxalic acid; 1-phenyl-4-[1-(3-pyridinylmethyl)-4-piperidinyl]piperazine IUPAC Name: oxalic acid; 1-phenyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperazine Traditional Name: oxalic acid; 1-phenyl-4-[1-(3-pyridylmethyl)-4-piperidyl]piperazine Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4.C2H2O4/c1-2-6-20(7-3-1)24-13-15-25(16-14-24)21-8-11-23(12-9-21)18-19-5-4-10-22-17-19;3-1(4)2(5)6/h1-7,10,17,21H,8-9,11-16,18H2;(H,3,4)(H,5,6)