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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C14H21FN3OS+ MolecularWeight: 298.399443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CCO)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CCO)F

InChI

InChI=1S/C14H20FN3OS/c1-11-2-3-12(10-13(11)15)16-14(20)18-6-4-17(5-7-18)8-9-19/h2-3,10,19H,4-9H2,1H3,(H,16,20)/p+1