1-(2-azanyl-1-phenyl-ethyl)-4-(trifluoromethyl)piperidin-4-ol; (E)-but-2-enedioic acid

Systemtic Name: 1-(2-azanyl-1-phenyl-ethyl)-4-(trifluoromethyl)piperidin-4-ol; (E)-but-2-enedioic acid Openeye Name: 1-(2-amino-1-phenyl-ethyl)-4-(trifluoromethyl)piperidin-4-ol; fumaric acid CAS Name: 1-(2-amino-1-phenylethyl)-4-(trifluoromethyl)-4-piperidinol; (E)-2-butenedioic acid IUPAC Name: 1-(2-amino-1-phenylethyl)-4-(trifluoromethyl)piperidin-4-ol; (E)-but-2-enedioic acid Traditional Name: 1-(2-amino-1-phenyl-ethyl)-4-(trifluoromethyl)piperidin-4-ol; fumaric acid Formula: C18H23F3N2O5 MolecularWeight: 404.38083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(F)(F)F)O)C(CN)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1(C(F)(F)F)O)C(CN)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H19F3N2O.C4H4O4/c15-14(16,17)13(20)6-8-19(9-7-13)12(10-18)11-4-2-1-3-5-11;5-3(6)1-2-4(7)8/h1-5,12,20H,6-10,18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+