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

Systemtic Name: 2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]-1-phenyl-ethanone chloride Openeye Name: 2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-1-phenyl-ethanone chloride CAS Name: 2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]-1-phenylethanone chloride IUPAC Name: 2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-1-phenylethanone chloride Traditional Name: 2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]-1-phenyl-ethanone chloride Formula: C15H16ClNO2S3 MolecularWeight: 373.94104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO2S3.ClH/c17-13(12-4-2-1-3-5-12)11-19-15-10-14(20-21-15)16-6-8-18-9-7-16;/h1-5,10H,6-9,11H2;1H/q+1;/p-1