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

Systemtic Name: (E)-but-2-enedioic acid; 1-oxidanyl-2-oxidanylidene-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride Openeye Name: fumaric acid; 1-hydroxy-2-oxo-4-[3-(1-piperidyl)propoxy]pyridine-3-carboximidoyl chloride CAS Name: (E)-2-butenedioic acid; 1-hydroxy-2-oxo-4-[3-(1-piperidinyl)propoxy]-3-pyridinecarboximidoyl chloride IUPAC Name: (E)-but-2-enedioic acid; 1-hydroxy-2-oxo-4-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride Traditional Name: fumaric acid; 1-hydroxy-2-keto-4-(3-piperidinopropoxy)nicotinimidoyl chloride Formula: C18H24ClN3O7 MolecularWeight: 429.85206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C(=O)N(C=C2)O)C(=N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C(=O)N(C=C2)O)C(=N)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20ClN3O3.C4H4O4/c15-13(16)12-11(5-9-18(20)14(12)19)21-10-4-8-17-6-2-1-3-7-17;5-3(6)1-2-4(7)8/h5,9,16,20H,1-4,6-8,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+