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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C16H18ClFN3OS+ MolecularWeight: 354.850023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H17ClFN3OS/c17-14-10-12(3-4-15(14)18)19-16(23)21-7-5-20(6-8-21)11-13-2-1-9-22-13/h1-4,9-10H,5-8,11H2,(H,19,23)/p+1