1-[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 1-[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 1-[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 1-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazino]ethanone; oxalic acid Formula: C17H23BrN2O7 MolecularWeight: 447.27772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H21BrN2O3.C2H2O4/c1-12(19)18-8-6-17(7-9-18)10-14(20)11-21-15-4-2-13(16)3-5-15;3-1(4)2(5)6/h2-5,14,20H,6-11H2,1H3;(H,3,4)(H,5,6)