[azanyl-(5,5-dimethyl-3-oxidanylidene-2-propanoyl-cyclohexen-1-yl)sulfanyl-methylidene]azanium chloride

Systemtic Name: [azanyl-(5,5-dimethyl-3-oxidanylidene-2-propanoyl-cyclohexen-1-yl)sulfanyl-methylidene]azanium chloride Openeye Name: [amino-(5,5-dimethyl-3-oxo-2-propanoyl-cyclohexen-1-yl)sulfanyl-methylene]ammonium chloride CAS Name: [amino-[[5,5-dimethyl-3-oxo-2-(1-oxopropyl)-1-cyclohexenyl]thio]methylidene]ammonium chloride IUPAC Name: [amino-(5,5-dimethyl-3-oxo-2-propanoylcyclohexen-1-yl)sulfanylmethylidene]azanium chloride Traditional Name: [amino-[(3-keto-5,5-dimethyl-2-propionyl-cyclohexen-1-yl)thio]methylene]ammonium chloride Formula: C12H19ClN2O2S MolecularWeight: 290.80946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CC(CC1=O)(C)C)SC(=[NH2+])N.[Cl-]

Isomeric SMILES

CCC(=O)C1=C(CC(CC1=O)(C)C)SC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C12H18N2O2S.ClH/c1-4-7(15)10-8(16)5-12(2,3)6-9(10)17-11(13)14;/h4-6H2,1-3H3,(H3,13,14);1H