ethanedioic acid; 1-(2-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-methoxyphenyl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2OS.C2H2O4/c1-22-19-6-4-3-5-18(19)21-13-11-20(12-14-21)15-16-7-9-17(23-2)10-8-16;3-1(4)2(5)6/h3-10H,11-15H2,1-2H3;(H,3,4)(H,5,6)