2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C15H25N5O2S2+2 MolecularWeight: 371.5213

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2

Isomeric SMILES

C[NH+](C)CCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2

InChI

InChI=1S/C15H23N5O2S2/c1-20(2)10-9-17-15(23)18-12-5-3-6-13(11-12)24(21,22)19-14-7-4-8-16-14/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,19)(H2,17,18,23)/p+2