2-[[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C22H30F2N4S+2 MolecularWeight: 420.562206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28F2N4S/c1-26(2)12-11-25-22(29)28-15-13-27(14-16-28)21(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21H,11-16H2,1-2H3,(H,25,29)/p+2