4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C14H19F3N3OS+ MolecularWeight: 334.38037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N3OS/c15-14(16,17)11-2-1-3-12(10-11)18-13(22)20-6-4-19(5-7-20)8-9-21/h1-3,10,21H,4-9H2,(H,18,22)/p+1