ethanedioic acid; 1-(pyridin-3-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(pyridin-3-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: oxalic acid; 1-(3-pyridylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: oxalic acid; 1-(3-pyridinylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: oxalic acid; 1-(pyridin-3-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: oxalic acid; 1-(3-pyridylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C22H29N3O7 MolecularWeight: 447.48156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CN=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CN=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O3.C2H2O4/c1-24-18-7-6-17(19(25-2)20(18)26-3)15-23-11-9-22(10-12-23)14-16-5-4-8-21-13-16;3-1(4)2(5)6/h4-8,13H,9-12,14-15H2,1-3H3;(H,3,4)(H,5,6)