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

Systemtic Name: 1-(4-methoxyphenyl)-2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone iodide Openeye Name: 1-(4-methoxyphenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-ethanone iodide CAS Name: 1-(4-methoxyphenyl)-2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]ethanone iodide IUPAC Name: 1-(4-methoxyphenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylethanone iodide Traditional Name: 1-(4-methoxyphenyl)-2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]ethanone iodide Formula: C16H18INO3S3 MolecularWeight: 495.41849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=CC(=[N+]3CCOCC3)SS2.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=CC(=[N+]3CCOCC3)SS2.[I-]

InChI

InChI=1S/C16H18NO3S3.HI/c1-19-13-4-2-12(3-5-13)14(18)11-21-16-10-15(22-23-16)17-6-8-20-9-7-17;/h2-5,10H,6-9,11H2,1H3;1H/q+1;/p-1