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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=S)N)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

C[N+]1(CCN(CC1)C(=S)N)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27F2N3S/c1-27(15-12-26(13-16-27)22(25)28)14-2-3-21(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