(E)-but-2-enedioic acid; 1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]pyrrolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]pyrrolidin-2-one Openeye Name: fumaric acid; 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]pyrrolidin-2-one CAS Name: (E)-2-butenedioic acid; 1-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-2-pyrrolidinone IUPAC Name: (E)-but-2-enedioic acid; 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]pyrrolidin-2-one Traditional Name: fumaric acid; 1-[2-hydroxy-3-(4-methylpiperazino)propyl]-2-pyrrolidone Formula: C16H27N3O6 MolecularWeight: 357.40208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2CCCC2=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC(CN2CCCC2=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H23N3O2.C4H4O4/c1-13-5-7-14(8-6-13)9-11(16)10-15-4-2-3-12(15)17;5-3(6)1-2-4(7)8/h11,16H,2-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+