1-(4-fluorophenyl)-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone iodide

Systemtic Name: 1-(4-fluorophenyl)-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone iodide Openeye Name: 1-(4-fluorophenyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-ethanone iodide CAS Name: 1-(4-fluorophenyl)-2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]ethanone iodide IUPAC Name: 1-(4-fluorophenyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylethanone iodide Traditional Name: 1-(4-fluorophenyl)-2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]ethanone iodide Formula: C15H15FINOS3 MolecularWeight: 467.383573

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C=C(SS2)SCC(=O)C3=CC=C(C=C3)F)C1.[I-]

Isomeric SMILES

C1CC[N+](=C2C=C(SS2)SCC(=O)C3=CC=C(C=C3)F)C1.[I-]

InChI

InChI=1S/C15H15FNOS3.HI/c16-12-5-3-11(4-6-12)13(18)10-19-15-9-14(20-21-15)17-7-1-2-8-17;/h3-6,9H,1-2,7-8,10H2;1H/q+1;/p-1