[4-(4-chloranyl-3-methyl-2-sulfamoyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dipropyl-azanium bromide

Systemtic Name: [4-(4-chloranyl-3-methyl-2-sulfamoyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dipropyl-azanium bromide Openeye Name: [4-(4-chloro-3-methyl-2-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dipropyl-ammonium bromide CAS Name: [4-(4-chloro-3-methyl-2-sulfamoylphenyl)-4-hydroxy-3-methyl-2-thiazolidinylidene]-dipropylammonium bromide IUPAC Name: [4-(4-chloro-3-methyl-2-sulfamoylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-dipropylazanium bromide Traditional Name: [4-(4-chloro-3-methyl-2-sulfamoyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dipropyl-ammonium bromide Formula: C17H27BrClN3O3S2 MolecularWeight: 500.90158

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1N(C(CS1)(C2=C(C(=C(C=C2)Cl)C)S(=O)(=O)N)O)C)CCC.[Br-]

Isomeric SMILES

CCC[N+](=C1N(C(CS1)(C2=C(C(=C(C=C2)Cl)C)S(=O)(=O)N)O)C)CCC.[Br-]

InChI

InChI=1S/C17H27ClN3O3S2.BrH/c1-5-9-21(10-6-2)16-20(4)17(22,11-25-16)13-7-8-14(18)12(3)15(13)26(19,23)24;/h7-8,22H,5-6,9-11H2,1-4H3,(H2,19,23,24);1H/q+1;/p-1