3-[5-chloranyl-4-methyl-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanylpropyl-dimethyl-azanium chloride

Systemtic Name: 3-[5-chloranyl-4-methyl-2-(2-oxidanylideneimidazolidin-1-yl)sulfonyl-phenyl]sulfanylpropyl-dimethyl-azanium chloride Openeye Name: 3-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonyl-phenyl]sulfanylpropyl-dimethyl-ammonium chloride CAS Name: 3-[[5-chloro-4-methyl-2-[(2-oxo-1-imidazolidinyl)sulfonyl]phenyl]thio]propyl-dimethylammonium chloride IUPAC Name: 3-[5-chloro-4-methyl-2-(2-oxoimidazolidin-1-yl)sulfonylphenyl]sulfanylpropyl-dimethylazanium chloride Traditional Name: 3-[[5-chloro-2-(2-ketoimidazolidin-1-yl)sulfonyl-4-methyl-phenyl]thio]propyl-dimethyl-ammonium chloride Formula: C15H23Cl2N3O3S2 MolecularWeight: 428.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCCC[NH+](C)C)S(=O)(=O)N2CCNC2=O.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCCC[NH+](C)C)S(=O)(=O)N2CCNC2=O.[Cl-]

InChI

InChI=1S/C15H22ClN3O3S2.ClH/c1-11-9-14(24(21,22)19-7-5-17-15(19)20)13(10-12(11)16)23-8-4-6-18(2)3;/h9-10H,4-8H2,1-3H3,(H,17,20);1H