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

Systemtic Name: 4-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-hydroxyethyl)-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-hydroxyethyl)-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C13H20N3OS+ MolecularWeight: 266.3824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3OS/c17-11-10-15-6-8-16(9-7-15)13(18)14-12-4-2-1-3-5-12/h1-5,17H,6-11H2,(H,14,18)/p+1