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

Systemtic Name: 1-phenyl-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone iodide Openeye Name: 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-ethanone iodide CAS Name: 1-phenyl-2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]ethanone iodide IUPAC Name: 1-phenyl-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylethanone iodide Traditional Name: 1-phenyl-2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]ethanone iodide Formula: C15H16INOS3 MolecularWeight: 449.39311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NOS3.HI/c17-13(12-6-2-1-3-7-12)11-18-15-10-14(19-20-15)16-8-4-5-9-16;/h1-3,6-7,10H,4-5,8-9,11H2;1H/q+1;/p-1