[[3-carboxy-5-(dimethylcarbamoylsulfanyl)phenyl]sulfanyl-oxidanyl-methylidene]-dimethyl-azanium

Systemtic Name: [[3-carboxy-5-(dimethylcarbamoylsulfanyl)phenyl]sulfanyl-oxidanyl-methylidene]-dimethyl-azanium Openeye Name: [[3-carboxy-5-(dimethylcarbamoylsulfanyl)phenyl]sulfanyl-hydroxy-methylene]-dimethyl-ammonium CAS Name: [[[3-carboxy-5-[[dimethylamino(oxo)methyl]thio]phenyl]thio]-hydroxymethylidene]-dimethylammonium IUPAC Name: [[3-carboxy-5-(dimethylcarbamoylsulfanyl)phenyl]sulfanyl-hydroxymethylidene]-dimethylazanium Traditional Name: [[[3-carboxy-5-(dimethylcarbamoylthio)phenyl]thio]-hydroxy-methylene]-dimethyl-ammonium Formula: C13H17N2O4S2+ MolecularWeight: 329.41508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=CC(=CC(=C1)C(=O)O)SC(=[N+](C)C)O

Isomeric SMILES

CN(C)C(=O)SC1=CC(=CC(=C1)C(=O)O)SC(=[N+](C)C)O

InChI

InChI=1S/C13H16N2O4S2/c1-14(2)12(18)20-9-5-8(11(16)17)6-10(7-9)21-13(19)15(3)4/h5-7H,1-4H3,(H,16,17)/p+1