2,7-Dioxaspiro(4.4)nonane-3-methanaminium, 1,6-dioxo-N,N,N,8-tetramethyl-, bromide

HCID 47873

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Basic information

CAS: 66223-19-6
Standard SMILES: CC1CC2(CC(C[N+](C)(C)C)OC2=O)C(=O)O1.[Br-]
InChIKey: QYGLHYNKSJOLMD-UHFFFAOYSA-M
Molecular formula: C12H20BrNO4
Average molar mass: 322.2 g/mol
Monoisotopic mass: 321.05757

Names & identifiers

Preferred name: 2,7-Dioxaspiro(4.4)nonane-3-methanaminium, 1,6-dioxo-N,N,N,8-tetramethyl-, bromide
IUPAC: trimethyl-[(8-methyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl)methyl]azanium bromide

Names & synonyms

66223-19-61,6-Dioxo-N,N,N,8-tetramethyl-2,7-dioxaspiro(4.4)nonane-3-methanaminium bromide3,3-Spiro-bi-5-methyl-5'-trimethylammoniummethyltetrahydrofuranone-2 bromide2,7-Dioxaspiro(4.4)nonane-3-methanaminium, 1,6-dioxo-N,N,N,8-tetramethyl-, bromideRefChem:248842DTXSID10984721N,N,N-Trimethyl(8-methyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl)methanaminium bromide

Database identifiers

CAS: 66223-19-6
PubChem CID: 47873
DTXSID: DTXSID10984721

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 360

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