trimethyl-[(1S)-5-oxidanylidene-1-sulfanyl-hex-2-ynyl]azanium iodide

Systemtic Name: trimethyl-[(1S)-5-oxidanylidene-1-sulfanyl-hex-2-ynyl]azanium iodide Openeye Name: trimethyl-[(1S)-5-oxo-1-sulfanyl-hex-2-ynyl]ammonium iodide CAS Name: [(1S)-1-mercapto-5-oxohex-2-ynyl]-trimethylammonium iodide IUPAC Name: trimethyl-[(1S)-5-oxo-1-sulfanylhex-2-ynyl]azanium iodide Traditional Name: [(1S)-5-keto-1-mercapto-hex-2-ynyl]-trimethyl-ammonium iodide Formula: C9H16INOS MolecularWeight: 313.19891

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC#CC([N+](C)(C)C)S.[I-]

Isomeric SMILES

CC(=O)CC#C[C@@H]([N+](C)(C)C)S.[I-]

InChI

InChI=1S/C9H15NOS.HI/c1-8(11)6-5-7-9(12)10(2,3)4;/h9H,6H2,1-4H3;1H/t9-;/m0./s1