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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]-4-piperonyl-piperazine; oxalic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2S.C2H2O4/c1-25-18-5-2-16(3-6-18)13-21-8-10-22(11-9-21)14-17-4-7-19-20(12-17)24-15-23-19;3-1(4)2(5)6/h2-7,12H,8-11,13-15H2,1H3;(H,3,4)(H,5,6)