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

Systemtic Name: ethanedioic acid; 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(2-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(2-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-[4-(methylthio)benzyl]-4-(2-pyridylmethyl)piperazine; oxalic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3S.C2H2O4/c1-22-18-7-5-16(6-8-18)14-20-10-12-21(13-11-20)15-17-4-2-3-9-19-17;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)