dimethyl-[3-oxidanylidene-3-[[4-(2-oxidanyl-3-propoxy-propoxy)phenyl]amino]propyl]sulfanium iodide

Systemtic Name: dimethyl-[3-oxidanylidene-3-[[4-(2-oxidanyl-3-propoxy-propoxy)phenyl]amino]propyl]sulfanium iodide Openeye Name: [3-[4-(2-hydroxy-3-propoxy-propoxy)anilino]-3-oxo-propyl]-dimethyl-sulfonium iodide CAS Name: [3-[4-(2-hydroxy-3-propoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfonium iodide IUPAC Name: [3-[4-(2-hydroxy-3-propoxypropoxy)anilino]-3-oxopropyl]-dimethylsulfanium iodide Traditional Name: [3-[4-(2-hydroxy-3-propoxy-propoxy)anilino]-3-keto-propyl]-dimethyl-sulfonium iodide Formula: C17H28INO4S MolecularWeight: 469.37799

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.[I-]

Isomeric SMILES

CCCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)O.[I-]

InChI

InChI=1S/C17H27NO4S.HI/c1-4-10-21-12-15(19)13-22-16-7-5-14(6-8-16)18-17(20)9-11-23(2)3;/h5-8,15,19H,4,9-13H2,1-3H3;1H