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

Systemtic Name: [4-(4-chloranyl-3-sulfamoyl-phenyl)-3-methyl-4-oxidanyl-3-phenethyl-1,3-thiazolidin-3-ium-2-ylidene]-methyl-azanium bromide Openeye Name: [4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3-methyl-3-phenethyl-thiazolidin-3-ium-2-ylidene]-methyl-ammonium bromide CAS Name: [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-3-phenethyl-2-thiazolidin-3-iumylidene]-methylammonium bromide IUPAC Name: [4-(4-chloro-3-sulfamoylphenyl)-4-hydroxy-3-methyl-3-phenethyl-1,3-thiazolidin-3-ium-2-ylidene]-methylazanium bromide Traditional Name: [4-(4-chloro-3-sulfamoyl-phenyl)-4-hydroxy-3-methyl-3-phenethyl-thiazolidin-3-ium-2-ylidene]-methyl-ammonium bromide Formula: C19H24BrClN3O3S2+ MolecularWeight: 521.89916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]=C1[N+](C(CS1)(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O)(C)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[NH+]=C1[N+](C(CS1)(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O)(C)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H23ClN3O3S2.BrH/c1-22-18-23(2,11-10-14-6-4-3-5-7-14)19(24,13-27-18)15-8-9-16(20)17(12-15)28(21,25)26;/h3-9,12,24H,10-11,13H2,1-2H3,(H2,21,25,26);1H/q+1;