1-[(3-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-(2-furylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-(2-furanylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(furan-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-(2-furfuryl)piperazine; oxalic acid Formula: C18H21BrN2O5 MolecularWeight: 425.27374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)CC3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)CC3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19BrN2O.C2H2O4/c17-15-4-1-3-14(11-15)12-18-6-8-19(9-7-18)13-16-5-2-10-20-16;3-1(4)2(5)6/h1-5,10-11H,6-9,12-13H2;(H,3,4)(H,5,6)