trimethyl-[[2-oxidanyl-5-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]sulfanyl-phenyl]methyl]azanium diiodide

Systemtic Name: trimethyl-[[2-oxidanyl-5-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]sulfanyl-phenyl]methyl]azanium diiodide Openeye Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]sulfanyl-phenyl]methyl-trimethyl-ammonium diiodide CAS Name: [2-hydroxy-5-[[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]thio]phenyl]methyl-trimethylammonium diiodide IUPAC Name: [2-hydroxy-5-[4-hydroxy-3-[(trimethylazaniumyl)methyl]phenyl]sulfanylphenyl]methyl-trimethylazanium diiodide Traditional Name: [2-hydroxy-5-[[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]thio]benzyl]-trimethyl-ammonium diiodide Formula: C20H30I2N2O2S MolecularWeight: 616.33834

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)O)C[N+](C)(C)C)O.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC(=C1)SC2=CC(=C(C=C2)O)C[N+](C)(C)C)O.[I-].[I-]

InChI

InChI=1S/C20H28N2O2S.2HI/c1-21(2,3)13-15-11-17(7-9-19(15)23)25-18-8-10-20(24)16(12-18)14-22(4,5)6;;/h7-12H,13-14H2,1-6H3;2*1H