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

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-(2-hydroxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioamide Formula: C13H18Cl2N3OS+ MolecularWeight: 335.27252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N3OS/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