1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)-4-piperonyl-piperazine; oxalic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O3.C2H2O4/c1-22-17-5-3-16(4-6-17)21-10-8-20(9-11-21)13-15-2-7-18-19(12-15)24-14-23-18;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)