(E)-but-2-enedioic acid; 2-oxidanylidene-3-(3-piperidin-1-ylpropoxy)-1H-pyridine-4-carboximidoyl chloride

Systemtic Name: (E)-but-2-enedioic acid; 2-oxidanylidene-3-(3-piperidin-1-ylpropoxy)-1H-pyridine-4-carboximidoyl chloride Openeye Name: fumaric acid; 2-oxo-3-[3-(1-piperidyl)propoxy]-1H-pyridine-4-carboximidoyl chloride CAS Name: (E)-2-butenedioic acid; 2-oxo-3-[3-(1-piperidinyl)propoxy]-1H-pyridine-4-carboximidoyl chloride IUPAC Name: (E)-but-2-enedioic acid; 2-oxo-3-(3-piperidin-1-ylpropoxy)-1H-pyridine-4-carboximidoyl chloride Traditional Name: fumaric acid; 2-keto-3-(3-piperidinopropoxy)-1H-pyridine-4-carboximidoyl chloride Formula: C18H24ClN3O6 MolecularWeight: 413.85266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C=CNC2=O)C(=N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C=CNC2=O)C(=N)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20ClN3O2.C4H4O4/c15-13(16)11-5-6-17-14(19)12(11)20-10-4-9-18-7-2-1-3-8-18;5-3(6)1-2-4(7)8/h5-6,16H,1-4,7-10H2,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+