[4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-ethyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-diethyl-azanium bromide

Systemtic Name: [4-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-ethyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-diethyl-azanium bromide Openeye Name: [4-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-ethyl-4-hydroxy-thiazolidin-2-ylidene]-diethyl-ammonium bromide CAS Name: [4-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-3-ethyl-4-hydroxy-2-thiazolidinylidene]-diethylammonium bromide IUPAC Name: [4-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-ethyl-4-hydroxy-1,3-thiazolidin-2-ylidene]-diethylazanium bromide Traditional Name: [4-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-3-ethyl-4-hydroxy-thiazolidin-2-ylidene]-diethyl-ammonium bromide Formula: C19H29BrClN3O3S2 MolecularWeight: 526.93886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](CC)CC)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)O.[Br-]

Isomeric SMILES

CCN1C(=[N+](CC)CC)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)O.[Br-]

InChI

InChI=1S/C19H29ClN3O3S2.BrH/c1-4-21(5-2)18-23(6-3)19(24,14-27-18)15-9-10-16(20)17(13-15)28(25,26)22-11-7-8-12-22;/h9-10,13,24H,4-8,11-12,14H2,1-3H3;1H/q+1;/p-1