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

Systemtic Name: [azanyl-(2-butanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)sulfanyl-methylidene]azanium chloride Openeye Name: [amino-(2-butanoyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl)sulfanyl-methylene]ammonium chloride CAS Name: [amino-[[5,5-dimethyl-3-oxo-2-(1-oxobutyl)-1-cyclohexenyl]thio]methylidene]ammonium chloride IUPAC Name: [amino-(2-butanoyl-5,5-dimethyl-3-oxocyclohexen-1-yl)sulfanylmethylidene]azanium chloride Traditional Name: [amino-[(2-butyryl-3-keto-5,5-dimethyl-cyclohexen-1-yl)thio]methylene]ammonium chloride Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.ClH/c1-4-5-8(16)11-9(17)6-13(2,3)7-10(11)18-12(14)15;/h4-7H2,1-3H3,(H3,14,15);1H