butanedioic acid; 4-[[2-(4-chloranylthiophen-2-yl)-4-fluoranyl-phenyl]methylidene]-1-methyl-piperidine

Systemtic Name: butanedioic acid; 4-[[2-(4-chloranylthiophen-2-yl)-4-fluoranyl-phenyl]methylidene]-1-methyl-piperidine Openeye Name: 4-[[2-(4-chloro-2-thienyl)-4-fluoro-phenyl]methylene]-1-methyl-piperidine; succinic acid CAS Name: butanedioic acid; 4-[[2-(4-chloro-2-thiophenyl)-4-fluorophenyl]methylidene]-1-methylpiperidine IUPAC Name: butanedioic acid; 4-[[2-(4-chlorothiophen-2-yl)-4-fluorophenyl]methylidene]-1-methylpiperidine Traditional Name: 4-[2-(4-chloro-2-thienyl)-4-fluoro-benzylidene]-1-methyl-piperidine; succinic acid Formula: C21H23ClFNO4S MolecularWeight: 439.928023

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=CC2=C(C=C(C=C2)F)C3=CC(=CS3)Cl)CC1.C(CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=CC2=C(C=C(C=C2)F)C3=CC(=CS3)Cl)CC1.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H17ClFNS.C4H6O4/c1-20-6-4-12(5-7-20)8-13-2-3-15(19)10-16(13)17-9-14(18)11-21-17;5-3(6)1-2-4(7)8/h2-3,8-11H,4-7H2,1H3;1-2H2,(H,5,6)(H,7,8)