Ammonium, ((2-bromo-4,5-diethoxy)benzyl)dimethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide

HCID 37244

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Basic information

CAS: 35690-14-3
Standard SMILES: CCOc1cc(Br)c(C[N+](C)(C)CCOCCC2CCC3CC2C3(C)C)cc1OCC.[Br-]
InChIKey: VGLITONBHLMDKO-UHFFFAOYSA-M
Molecular formula: C26H43Br2NO3
Average molar mass: 577.4 g/mol
Monoisotopic mass: 575.16097

Names & identifiers

Preferred name: Ammonium, ((2-bromo-4,5-diethoxy)benzyl)dimethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide
IUPAC: (2-bromo-4,5-diethoxyphenyl)methyl-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]-dimethylazanium bromide

Names & synonyms

35690-14-3Ammonium, ((2-bromo-4,5-diethoxy)benzyl)dimethyl(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromideRefChem:318617DTXSID50957090N-[(2-Bromo-4,5-diethoxyphenyl)methyl]-2-[2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy]-N,N-dimethylethan-1-aminium bromide

Database identifiers

CAS: 35690-14-3
PubChem CID: 37244
DTXSID: DTXSID50957090

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 32
Formal charge: 0
Complexity: 555

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