(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-[2-(2-methoxyphenyl)ethyl]-methyl-sulfanium iodide

Systemtic Name: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-[2-(2-methoxyphenyl)ethyl]-methyl-sulfanium iodide Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-[2-(2-methoxyphenyl)ethyl]-methyl-sulfonium iodide CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-[2-(2-methoxyphenyl)ethyl]-methylsulfonium iodide IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-[2-(2-methoxyphenyl)ethyl]-methylsulfanium iodide Traditional Name: (3-amino-4-hydroxy-4-keto-butyl)-[2-(2-methoxyphenyl)ethyl]-methyl-sulfonium iodide Formula: C14H22INO3S MolecularWeight: 411.29885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[S+](C)CCC(C(=O)O)N.[I-]

Isomeric SMILES

COC1=CC=CC=C1CC[S+](C)CCC(C(=O)O)N.[I-]

InChI

InChI=1S/C14H21NO3S.HI/c1-18-13-6-4-3-5-11(13)7-9-19(2)10-8-12(15)14(16)17;/h3-6,12H,7-10,15H2,1-2H3;1H