(E)-but-2-enedioic acid; 1-methyl-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-4-pyridin-3-yl-piperidin-4-ol Openeye Name: fumaric acid; 1-methyl-4-(3-pyridyl)piperidin-4-ol CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(3-pyridinyl)-4-piperidinol IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-pyridin-3-ylpiperidin-4-ol Traditional Name: fumaric acid; 1-methyl-4-(3-pyridyl)piperidin-4-ol Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=CN=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)(C2=CN=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H16N2O.C4H4O4/c1-13-7-4-11(14,5-8-13)10-3-2-6-12-9-10;5-3(6)1-2-4(7)8/h2-3,6,9,14H,4-5,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+