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

Systemtic Name: 1-(2-chlorophenyl)-2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone iodide Openeye Name: 1-(2-chlorophenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-ethanone iodide CAS Name: 1-(2-chlorophenyl)-2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]ethanone iodide IUPAC Name: 1-(2-chlorophenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylethanone iodide Traditional Name: 1-(2-chlorophenyl)-2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]ethanone iodide Formula: C15H15ClINO2S3 MolecularWeight: 499.83757

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2C=C(SS2)SCC(=O)C3=CC=CC=C3Cl.[I-]

Isomeric SMILES

C1COCC[N+]1=C2C=C(SS2)SCC(=O)C3=CC=CC=C3Cl.[I-]

InChI

InChI=1S/C15H15ClNO2S3.HI/c16-12-4-2-1-3-11(12)13(18)10-20-15-9-14(21-22-15)17-5-7-19-8-6-17;/h1-4,9H,5-8,10H2;1H/q+1;/p-1