N-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C14H21FN3OS+ MolecularWeight: 298.399443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H20FN3OS/c15-13-3-1-12(2-4-13)11-16-14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-11H2,(H,16,20)/p+1