(E)-but-2-enedioic acid; (3Z)-1-oxidanidyl-N-(2-oxidanyl-3-piperidin-1-yl-propoxy)pyridin-1-ium-3-carboximidoyl chloride

Systemtic Name: (E)-but-2-enedioic acid; (3Z)-1-oxidanidyl-N-(2-oxidanyl-3-piperidin-1-yl-propoxy)pyridin-1-ium-3-carboximidoyl chloride Openeye Name: fumaric acid; (3Z)-N-[2-hydroxy-3-(1-piperidyl)propoxy]-1-oxido-pyridin-1-ium-3-carboximidoyl chloride CAS Name: (E)-2-butenedioic acid; (3Z)-N-[2-hydroxy-3-(1-piperidinyl)propoxy]-1-oxido-3-pyridin-1-iumcarboximidoyl chloride IUPAC Name: (E)-but-2-enedioic acid; (3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)-1-oxidopyridin-1-ium-3-carboximidoyl chloride Traditional Name: fumaric acid; (3Z)-N-(2-hydroxy-3-piperidino-propoxy)-1-oxido-pyridin-1-ium-3-carboximidoyl chloride Formula: C18H24ClN3O7 MolecularWeight: 429.85206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CON=C(C2=C[N+](=CC=C2)[O-])Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC(CO/N=C(/C2=C[N+](=CC=C2)[O-])\Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20ClN3O3.C4H4O4/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;5-3(6)1-2-4(7)8/h4-5,8-9,13,19H,1-3,6-7,10-11H2;1-2H,(H,5,6)(H,7,8)/b16-14-;2-1+