(5,5-dimethyl-2-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)-heptyl-azanium bromide

Systemtic Name: (5,5-dimethyl-2-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)-heptyl-azanium bromide Openeye Name: heptyl-(2-hydroxy-5,5-dimethyl-3-oxo-cyclohexen-1-yl)ammonium bromide CAS Name: heptyl-(2-hydroxy-5,5-dimethyl-3-oxo-1-cyclohexenyl)ammonium bromide IUPAC Name: heptyl-(2-hydroxy-5,5-dimethyl-3-oxocyclohexen-1-yl)azanium bromide Traditional Name: heptyl-(2-hydroxy-3-keto-5,5-dimethyl-cyclohexen-1-yl)ammonium bromide Formula: C15H28BrNO2 MolecularWeight: 334.29232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[NH2+]C1=C(C(=O)CC(C1)(C)C)O.[Br-]

Isomeric SMILES

CCCCCCC[NH2+]C1=C(C(=O)CC(C1)(C)C)O.[Br-]

InChI

InChI=1S/C15H27NO2.BrH/c1-4-5-6-7-8-9-16-12-10-15(2,3)11-13(17)14(12)18;/h16,18H,4-11H2,1-3H3;1H