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

Systemtic Name: (E)-but-2-enedioic acid; (3Z)-N-(3-oxidanyl-3-piperidin-1-yl-propoxy)pyridine-3-carboximidoyl chloride Openeye Name: fumaric acid; (3Z)-N-[3-hydroxy-3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl chloride CAS Name: (E)-2-butenedioic acid; (3Z)-N-[3-hydroxy-3-(1-piperidinyl)propoxy]-3-pyridinecarboximidoyl chloride IUPAC Name: (E)-but-2-enedioic acid; (3Z)-N-(3-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride Traditional Name: fumaric acid; (3Z)-N-(3-hydroxy-3-piperidino-propoxy)nicotinimidoyl chloride Formula: C18H24ClN3O6 MolecularWeight: 413.85266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CCON=C(C2=CN=CC=C2)Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(CCO/N=C(/C2=CN=CC=C2)\Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20ClN3O2.C4H4O4/c15-14(12-5-4-7-16-11-12)17-20-10-6-13(19)18-8-2-1-3-9-18;5-3(6)1-2-4(7)8/h4-5,7,11,13,19H,1-3,6,8-10H2;1-2H,(H,5,6)(H,7,8)/b17-14-;2-1+