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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(furan-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(2-furylmethyl)piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-furanylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(2-furfuryl)piperazine; oxalic acid Formula: C19H23BrN2O6 MolecularWeight: 455.29972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21BrN2O2.C2H2O4/c1-21-17-5-4-15(18)11-14(17)12-19-6-8-20(9-7-19)13-16-3-2-10-22-16;3-1(4)2(5)6/h2-5,10-11H,6-9,12-13H2,1H3;(H,3,4)(H,5,6)