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

Systemtic Name: 1-(3-methoxyphenyl)-2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-methoxyphenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-ethanone CAS Name: 1-(3-methoxyphenyl)-2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylethanone Traditional Name: 1-(3-methoxyphenyl)-2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]ethanone Formula: C16H18NO3S3+ MolecularWeight: 368.51402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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