1-(5-chloranyl-3-ethyl-4,6-dimethyl-1-benzofuran-7-yl)piperazine; ethanedioic acid

Systemtic Name: 1-(5-chloranyl-3-ethyl-4,6-dimethyl-1-benzofuran-7-yl)piperazine; ethanedioic acid Openeye Name: 1-(5-chloro-3-ethyl-4,6-dimethyl-benzofuran-7-yl)piperazine; oxalic acid CAS Name: 1-(5-chloro-3-ethyl-4,6-dimethyl-7-benzofuranyl)piperazine; oxalic acid IUPAC Name: 1-(5-chloro-3-ethyl-4,6-dimethyl-1-benzofuran-7-yl)piperazine; oxalic acid Traditional Name: 1-(5-chloro-3-ethyl-4,6-dimethyl-benzofuran-7-yl)piperazine; oxalic acid Formula: C18H23ClN2O5 MolecularWeight: 382.83862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=COC2=C(C(=C(C(=C12)C)Cl)C)N3CCNCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=COC2=C(C(=C(C(=C12)C)Cl)C)N3CCNCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21ClN2O.C2H2O4/c1-4-12-9-20-16-13(12)10(2)14(17)11(3)15(16)19-7-5-18-6-8-19;3-1(4)2(5)6/h9,18H,4-8H2,1-3H3;(H,3,4)(H,5,6)