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

Systemtic Name: [4-(4-chloranyl-3-sulfamoyl-phenyl)-3-ethyl-4-oxidanyl-3-phenethyl-1,3-thiazolidin-3-ium-2-ylidene]-methyl-azanium bromide Openeye Name: [4-(4-chloro-3-sulfamoyl-phenyl)-3-ethyl-4-hydroxy-3-phenethyl-thiazolidin-3-ium-2-ylidene]-methyl-ammonium bromide CAS Name: [4-(4-chloro-3-sulfamoylphenyl)-3-ethyl-4-hydroxy-3-phenethyl-2-thiazolidin-3-iumylidene]-methylammonium bromide IUPAC Name: [4-(4-chloro-3-sulfamoylphenyl)-3-ethyl-4-hydroxy-3-phenethyl-1,3-thiazolidin-3-ium-2-ylidene]-methylazanium bromide Traditional Name: [4-(4-chloro-3-sulfamoyl-phenyl)-3-ethyl-4-hydroxy-3-phenethyl-thiazolidin-3-ium-2-ylidene]-methyl-ammonium bromide Formula: C20H26BrClN3O3S2+ MolecularWeight: 535.92574

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=[NH+]C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC[N+]1(C(=[NH+]C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N)O)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H25ClN3O3S2.BrH/c1-3-24(12-11-15-7-5-4-6-8-15)19(23-2)28-14-20(24,25)16-9-10-17(21)18(13-16)29(22,26)27;/h4-10,13,25H,3,11-12,14H2,1-2H3,(H2,22,26,27);1H/q+1;