4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H26FN3O2S/c1-26-19-6-3-16(4-7-19)14-23-21(28)25-11-9-24(10-12-25)15-17-13-18(22)5-8-20(17)27-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,28)/p+1