2,4-Dimethyl-6-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen bromide (1/1)

HCID 45983

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Basic information

CAS: 63981-65-7
Standard SMILES: Cc1cc(C)c(O)c([N+](C)(C)C)c1.[Br-]
InChIKey: UCJMBBZBOFQKOW-UHFFFAOYSA-N
Molecular formula: C11H18BrNO
Average molar mass: 260.17 g/mol
Monoisotopic mass: 259.05718

Names & identifiers

Preferred name: 2,4-Dimethyl-6-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen bromide (1/1)
IUPAC: (2-hydroxy-3,5-dimethylphenyl)-trimethylazanium bromide

Names & synonyms

63981-65-7RefChem:1059770DTXSID30981631DTXCID6014089002,4-Dimethyl-6-(trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen bromide (1/1)2-Hydroxy-3,5-dimethylphenyl trimethylammonium bromideRo 2-3560AMMONIUM, (2-HYDROXY-3,5-DIMETHYLPHENYL)TRIMETHYL-, BROMIDE

Database identifiers

CAS: 63981-65-7
PubChem CID: 45983

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 173

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