1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[[4-(methylthio)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-[4-(methylthio)benzyl]piperazine; oxalic acid Formula: C22H27BrN2O5S MolecularWeight: 511.42918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=C(C=C3)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2OS.C2H2O4/c1-24-20-8-5-18(21)13-17(20)15-23-11-9-22(10-12-23)14-16-3-6-19(25-2)7-4-16;3-1(4)2(5)6/h3-8,13H,9-12,14-15H2,1-2H3;(H,3,4)(H,5,6)