[azanyl-(4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-propanoyl-cyclohexen-1-yl)sulfanyl-methylidene]azanium

Systemtic Name: [azanyl-(4-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-2-propanoyl-cyclohexen-1-yl)sulfanyl-methylidene]azanium Openeye Name: [amino-(4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-propanoyl-cyclohexen-1-yl)sulfanyl-methylene]ammonium CAS Name: [amino-[[4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-(1-oxopropyl)-1-cyclohexenyl]thio]methylidene]ammonium IUPAC Name: [amino-(4-methoxycarbonyl-5,5-dimethyl-3-oxo-2-propanoylcyclohexen-1-yl)sulfanylmethylidene]azanium Traditional Name: [amino-[(4-carbomethoxy-3-keto-5,5-dimethyl-2-propionyl-cyclohexen-1-yl)thio]methylene]ammonium Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)SC(=[NH2+])N

Isomeric SMILES

CCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)SC(=[NH2+])N

InChI

InChI=1S/C14H20N2O4S/c1-5-7(17)9-8(21-13(15)16)6-14(2,3)10(11(9)18)12(19)20-4/h10H,5-6H2,1-4H3,(H3,15,16)/p+1