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

Systemtic Name: 1-(4-aminophenyl)-2-[(5-morpholin-4-ium-4-ylidene-1,2-dithiol-3-yl)sulfanyl]ethanone chloride Openeye Name: 1-(4-aminophenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanyl-ethanone chloride CAS Name: 1-(4-aminophenyl)-2-[[5-(4-morpholin-4-iumylidene)-3-dithiolyl]thio]ethanone chloride IUPAC Name: 1-(4-aminophenyl)-2-(5-morpholin-4-ium-4-ylidenedithiol-3-yl)sulfanylethanone chloride Traditional Name: 1-(4-aminophenyl)-2-[(5-morpholin-4-ium-4-ylidenedithiol-3-yl)thio]ethanone chloride Formula: C15H17ClN2O2S3 MolecularWeight: 388.95568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2S3.ClH/c16-12-3-1-11(2-4-12)13(18)10-20-15-9-14(21-22-15)17-5-7-19-8-6-17;/h1-4,9H,5-8,10H2,(H-,16,18);1H