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

Systemtic Name: 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)piperazin-4-ium-1-carbothioamide Formula: C13H21N4O3S2+ MolecularWeight: 345.46084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3S2/c14-22(19,20)12-3-1-11(2-4-12)15-13(21)17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-10H2,(H,15,21)(H2,14,19,20)/p+1