N-[3,5-bis(fluoranyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-difluorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C13H18F2N3OS+ MolecularWeight: 302.363326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC2=CC(=CC(=C2)F)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C13H17F2N3OS/c14-10-7-11(15)9-12(8-10)16-13(20)18-3-1-17(2-4-18)5-6-19/h7-9,19H,1-6H2,(H,16,20)/p+1