1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: oxalic acid; 1-piperonyl-4-veratryl-piperazine Formula: C23H28N2O8 MolecularWeight: 460.47702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O4.C2H2O4/c1-24-18-5-3-16(11-20(18)25-2)13-22-7-9-23(10-8-22)14-17-4-6-19-21(12-17)27-15-26-19;3-1(4)2(5)6/h3-6,11-12H,7-10,13-15H2,1-2H3;(H,3,4)(H,5,6)