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

Systemtic Name: 4-ethyl-N-(3-fluoranyl-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-(3-fluoro-4-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-(3-fluoro-4-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carbothioamide Formula: C14H21FN3S+ MolecularWeight: 282.400043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3S/c1-3-17-6-8-18(9-7-17)14(19)16-12-5-4-11(2)13(15)10-12/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)/p+1