ethanedioic acid; 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone; oxalic acid CAS Name: 1-[4-(4-methyl-1-piperazinyl)phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone; oxalic acid Traditional Name: 1-[4-(4-methylpiperazino)phenyl]ethanone; oxalic acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18N2O.C2H2O4/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15;3-1(4)2(5)6/h3-6H,7-10H2,1-2H3;(H,3,4)(H,5,6)