4-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-phenyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[[2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[[2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Formula: C22H24FN4O2S+ MolecularWeight: 427.514963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)COC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)COC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23FN4O2S/c23-17-6-8-20(9-7-17)29-15-21-24-19(16-30-21)14-26-10-12-27(13-11-26)22(28)25-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H,25,28)/p+1