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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C14H20ClFN3S+ MolecularWeight: 316.845103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClFN3S/c1-2-5-18-6-8-19(9-7-18)14(20)17-11-3-4-13(16)12(15)10-11/h3-4,10H,2,5-9H2,1H3,(H,17,20)/p+1