(E)-but-2-enedioic acid; 2-(3-chlorophenyl)-6-methyl-piperidin-4-ol

Systemtic Name: (E)-but-2-enedioic acid; 2-(3-chlorophenyl)-6-methyl-piperidin-4-ol Openeye Name: 2-(3-chlorophenyl)-6-methyl-piperidin-4-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(3-chlorophenyl)-6-methyl-4-piperidinol IUPAC Name: (E)-but-2-enedioic acid; 2-(3-chlorophenyl)-6-methylpiperidin-4-ol Traditional Name: 2-(3-chlorophenyl)-6-methyl-piperidin-4-ol; fumaric acid Formula: C16H20ClNO5 MolecularWeight: 341.7867

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(N1)C2=CC(=CC=C2)Cl)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CC(N1)C2=CC(=CC=C2)Cl)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16ClNO.C4H4O4/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9;5-3(6)1-2-4(7)8/h2-4,6,8,11-12,14-15H,5,7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+