ethanedioic acid; 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-(4-methoxyphenyl)-2-(4-methylpiperazino)ethanone; oxalic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O2.C2H2O4/c1-15-7-9-16(10-8-15)11-14(17)12-3-5-13(18-2)6-4-12;3-1(4)2(5)6/h3-6H,7-11H2,1-2H3;(H,3,4)(H,5,6)