N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H16ClFN3S+ MolecularWeight: 288.791943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClFN3S/c1-16-4-6-17(7-5-16)12(18)15-9-2-3-11(14)10(13)8-9/h2-3,8H,4-7H2,1H3,(H,15,18)/p+1