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

Systemtic Name: 1-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone iodide Openeye Name: 1-(2-methoxyphenyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-ethanone iodide CAS Name: 1-(2-methoxyphenyl)-2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]ethanone iodide IUPAC Name: 1-(2-methoxyphenyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylethanone iodide Traditional Name: 1-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]ethanone iodide Formula: C16H18INO2S3 MolecularWeight: 479.41909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=CC(=[N+]3CCCC3)SS2.[I-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=CC(=[N+]3CCCC3)SS2.[I-]

InChI

InChI=1S/C16H18NO2S3.HI/c1-19-14-7-3-2-6-12(14)13(18)11-20-16-10-15(21-22-16)17-8-4-5-9-17;/h2-3,6-7,10H,4-5,8-9,11H2,1H3;1H/q+1;/p-1