[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone; ethanedioic acid

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone; ethanedioic acid Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2-furyl)methanone; oxalic acid CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-(2-furanyl)methanone; oxalic acid IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone; oxalic acid Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazino]-(2-furyl)methanone; oxalic acid Formula: C19H21BrN2O7 MolecularWeight: 469.28324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19BrN2O3.C2H2O4/c1-22-15-5-4-14(18)11-13(15)12-19-6-8-20(9-7-19)17(21)16-3-2-10-23-16;3-1(4)2(5)6/h2-5,10-11H,6-9,12H2,1H3;(H,3,4)(H,5,6)