[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone; ethanedioic acid

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone; ethanedioic acid Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(2-furyl)methanone; oxalic acid CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(2-furanyl)methanone; oxalic acid IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone; oxalic acid Traditional Name: [4-(3-bromobenzyl)piperazino]-(2-furyl)methanone; oxalic acid Formula: C18H19BrN2O6 MolecularWeight: 439.25726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)C3=CC=CO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17BrN2O2.C2H2O4/c17-14-4-1-3-13(11-14)12-18-6-8-19(9-7-18)16(20)15-5-2-10-21-15;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)