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

Systemtic Name: (E)-but-2-enedioic acid; 2-(1-methyl-4-thiophen-3-yl-piperidin-4-yl)propan-2-ol Openeye Name: fumaric acid; 2-[1-methyl-4-(3-thienyl)-4-piperidyl]propan-2-ol CAS Name: (E)-2-butenedioic acid; 2-[1-methyl-4-(3-thiophenyl)-4-piperidinyl]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 2-(1-methyl-4-thiophen-3-ylpiperidin-4-yl)propan-2-ol Traditional Name: fumaric acid; 2-[1-methyl-4-(3-thienyl)-4-piperidyl]propan-2-ol Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1(CCN(CC1)C)C2=CSC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C1(CCN(CC1)C)C2=CSC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H21NOS.C4H4O4/c1-12(2,15)13(11-4-9-16-10-11)5-7-14(3)8-6-13;5-3(6)1-2-4(7)8/h4,9-10,15H,5-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+