ethanedioic acid; 1-(4-piperazin-1-ylphenyl)ethanone

Systemtic Name: ethanedioic acid; 1-(4-piperazin-1-ylphenyl)ethanone Openeye Name: oxalic acid; 1-(4-piperazin-1-ylphenyl)ethanone CAS Name: oxalic acid; 1-[4-(1-piperazinyl)phenyl]ethanone IUPAC Name: oxalic acid; 1-(4-piperazin-1-ylphenyl)ethanone Traditional Name: oxalic acid; 1-(4-piperazinophenyl)ethanone Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCNCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCNCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N2O.C2H2O4/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14;3-1(4)2(5)6/h2-5,13H,6-9H2,1H3;(H,3,4)(H,5,6)