[4-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dimethyl-azanium bromide

Systemtic Name: [4-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanyl-1,3-thiazolidin-2-ylidene]-dimethyl-azanium bromide Openeye Name: [4-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dimethyl-ammonium bromide CAS Name: [4-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-4-hydroxy-3-methyl-2-thiazolidinylidene]-dimethylammonium bromide IUPAC Name: [4-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-4-hydroxy-3-methyl-1,3-thiazolidin-2-ylidene]-dimethylazanium bromide Traditional Name: [4-(4-chloro-3-piperidinosulfonyl-phenyl)-4-hydroxy-3-methyl-thiazolidin-2-ylidene]-dimethyl-ammonium bromide Formula: C17H25BrClN3O3S2 MolecularWeight: 498.8857

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C)C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)O.[Br-]

Isomeric SMILES

CN1C(=[N+](C)C)SCC1(C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)O.[Br-]

InChI

InChI=1S/C17H25ClN3O3S2.BrH/c1-19(2)16-20(3)17(22,12-25-16)13-7-8-14(18)15(11-13)26(23,24)21-9-5-4-6-10-21;/h7-8,11,22H,4-6,9-10,12H2,1-3H3;1H/q+1;/p-1