(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-phenethyl-sulfanium iodide

Systemtic Name: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-phenethyl-sulfanium iodide Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-methyl-phenethyl-sulfonium iodide CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-methyl-phenethylsulfonium iodide IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-methyl-phenethylsulfanium iodide Traditional Name: (3-amino-4-hydroxy-4-keto-butyl)-methyl-phenethyl-sulfonium iodide Formula: C13H20INO2S MolecularWeight: 381.27287

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC1=CC=CC=C1)CCC(C(=O)O)N.[I-]

Isomeric SMILES

C[S+](CCC1=CC=CC=C1)CCC(C(=O)O)N.[I-]

InChI

InChI=1S/C13H19NO2S.HI/c1-17(10-8-12(14)13(15)16)9-7-11-5-3-2-4-6-11;/h2-6,12H,7-10,14H2,1H3;1H