trimethyl-[(4-oxidanylidene-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)methyl]azanium iodide

Systemtic Name: trimethyl-[(4-oxidanylidene-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)methyl]azanium iodide Openeye Name: trimethyl-[(4-oxo-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)methyl]ammonium iodide CAS Name: trimethyl-[(4-oxo-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)methyl]ammonium iodide IUPAC Name: trimethyl-[(4-oxo-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)methyl]azanium iodide Traditional Name: (4-keto-6,7-dihydro-5H-thieno[2,3-b]thiepin-5-yl)methyl-trimethyl-ammonium iodide Formula: C12H18INOS2 MolecularWeight: 383.31189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1CCSC2=C(C1=O)C=CS2.[I-]

Isomeric SMILES

C[N+](C)(C)CC1CCSC2=C(C1=O)C=CS2.[I-]

InChI

InChI=1S/C12H18NOS2.HI/c1-13(2,3)8-9-4-6-15-12-10(11(9)14)5-7-16-12;/h5,7,9H,4,6,8H2,1-3H3;1H/q+1;/p-1