1-[(4-bromanylthiophen-2-yl)methyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-methyl-piperazine; oxalic acid Formula: C12H17BrN2O4S MolecularWeight: 365.24338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CS2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CS2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H15BrN2S.C2H2O4/c1-12-2-4-13(5-3-12)7-10-6-9(11)8-14-10;3-1(4)2(5)6/h6,8H,2-5,7H2,1H3;(H,3,4)(H,5,6)