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

Systemtic Name: ethanedioic acid; N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide; oxalic acid CAS Name: N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide; oxalic acid Traditional Name: N-[4-[(4-methylpiperazino)methyl]phenyl]acetamide; oxalic acid Formula: C16H23N3O5 MolecularWeight: 337.37092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O.C2H2O4/c1-12(18)15-14-5-3-13(4-6-14)11-17-9-7-16(2)8-10-17;3-1(4)2(5)6/h3-6H,7-11H2,1-2H3,(H,15,18);(H,3,4)(H,5,6)