(Z)-but-2-enedioic acid; 3-(4-methylpiperazin-1-yl)propyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (Z)-but-2-enedioic acid; 3-(4-methylpiperazin-1-yl)propyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: maleic acid; 3-(4-methylpiperazin-1-yl)propyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: (Z)-2-butenedioic acid; 1-oxido-4-pyridin-1-iumcarboxylic acid 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: (Z)-but-2-enedioic acid; 3-(4-methylpiperazin-1-yl)propyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: maleic acid; 1-oxidopyridin-1-ium-4-carboxylic acid 3-(4-methylpiperazino)propyl ester Formula: C22H29N3O11 MolecularWeight: 511.47916

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC(=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)CCCOC(=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/C14H21N3O3.2C4H4O4/c1-15-8-10-16(11-9-15)5-2-12-20-14(18)13-3-6-17(19)7-4-13;2*5-3(6)1-2-4(7)8/h3-4,6-7H,2,5,8-12H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-