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

Systemtic Name: ethanedioic acid; 1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: 1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-methyl-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2S.C2H2O4/c1-14-7-9-15(10-8-14)11-12-3-5-13(16-2)6-4-12;3-1(4)2(5)6/h3-6H,7-11H2,1-2H3;(H,3,4)(H,5,6)