ethanedioic acid; N-[3-(4-methylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[3-(4-methylpiperazin-1-yl)phenyl]ethanamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)phenyl]acetamide; oxalic acid CAS Name: N-[3-(4-methyl-1-piperazinyl)phenyl]acetamide; oxalic acid IUPAC Name: N-[3-(4-methylpiperazin-1-yl)phenyl]acetamide; oxalic acid Traditional Name: N-[3-(4-methylpiperazino)phenyl]acetamide; oxalic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O.C2H2O4/c1-11(17)14-12-4-3-5-13(10-12)16-8-6-15(2)7-9-16;3-1(4)2(5)6/h3-5,10H,6-9H2,1-2H3,(H,14,17);(H,3,4)(H,5,6)