N-[3,5-bis(fluoranyl)phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-difluorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H16F2N3S+ MolecularWeight: 272.337346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H15F2N3S/c1-16-2-4-17(5-3-16)12(18)15-11-7-9(13)6-10(14)8-11/h6-8H,2-5H2,1H3,(H,15,18)/p+1