N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C13H18ClFN3OS+ MolecularWeight: 318.817923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H17ClFN3OS/c14-11-9-10(1-2-12(11)15)16-13(20)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2,(H,16,20)/p+1