4-[bis(4-fluorophenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide Formula: C22H26F2N3S+ MolecularWeight: 402.523746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2N3S/c1-16(2)15-25-22(28)27-13-11-26(12-14-27)21(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21H,1,11-15H2,2H3,(H,25,28)/p+1