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

Systemtic Name: 1-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ium-1-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-methoxyphenyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanyl-ethanone CAS Name: 1-(2-methoxyphenyl)-2-[[5-(1-pyrrolidin-1-iumylidene)-3-dithiolyl]thio]ethanone IUPAC Name: 1-(2-methoxyphenyl)-2-(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)sulfanylethanone Traditional Name: 1-(2-methoxyphenyl)-2-[(5-pyrrolidin-1-ium-1-ylidenedithiol-3-yl)thio]ethanone Formula: C16H18NO2S3+ MolecularWeight: 352.51462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO2S3/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/q+1