4-[bis(4-fluorophenyl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-butyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-butylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-butyl-piperazin-4-ium-1-carbothioamide Formula: C22H28F2N3S+ MolecularWeight: 404.539626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC(=S)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27F2N3S/c1-2-3-12-25-22(28)27-15-13-26(14-16-27)21(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18/h4-11,21H,2-3,12-16H2,1H3,(H,25,28)/p+1