(Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: maleic acid; 2-(4-methylpiperazin-1-yl)ethyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: (Z)-2-butenedioic acid; 1-oxido-4-pyridin-1-iumcarboxylic acid 2-(4-methyl-1-piperazinyl)ethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)ethyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: maleic acid; 1-oxidopyridin-1-ium-4-carboxylic acid 2-(4-methylpiperazino)ethyl ester Formula: C21H27N3O11 MolecularWeight: 497.45258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCOC(=O)C2=CC=[N+](C=C2)[O-].C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCOC(=O)C2=CC=[N+](C=C2)[O-].C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C13H19N3O3.2C4H4O4/c1-14-6-8-15(9-7-14)10-11-19-13(17)12-2-4-16(18)5-3-12;2*5-3(6)1-2-4(7)8/h2-5H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-