(E)-but-2-enedioic acid; 4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenyl-piperidine Openeye Name: 4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(4-fluorophenyl)thio]-1-methyl-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenyl)sulfanyl-1-methyl-3-phenylpiperidine Traditional Name: 4-[(4-fluorophenyl)thio]-1-methyl-3-phenyl-piperidine; fumaric acid Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C2=CC=CC=C2)SC3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(C(C1)C2=CC=CC=C2)SC3=CC=C(C=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20FNS.C4H4O4/c1-20-12-11-18(21-16-9-7-15(19)8-10-16)17(13-20)14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h2-10,17-18H,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+