1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-thienylmethyl)piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine; oxalic acid Traditional Name: oxalic acid; 1-piperonyl-4-(2-thenyl)piperazine Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2O2S.C2H2O4/c1-2-15(22-9-1)12-19-7-5-18(6-8-19)11-14-3-4-16-17(10-14)21-13-20-16;3-1(4)2(5)6/h1-4,9-10H,5-8,11-13H2;(H,3,4)(H,5,6)