4-ethyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-ethyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(3-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(3-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C13H19FN3S+ MolecularWeight: 268.373463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3S/c1-2-16-6-8-17(9-7-16)13(18)15-12-5-3-4-11(14)10-12/h3-5,10H,2,6-9H2,1H3,(H,15,18)/p+1