6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, hexanoate (ester), hydrobromide

HCID 41812

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Basic information

CAS: 56232-08-7
Standard SMILES: CCCCCC(=O)Oc1cccc(C23CCCC(C2)[NH+](C)C3C)c1.[Br-]
InChIKey: PXHSJJCXEGJUBT-UHFFFAOYSA-N
Molecular formula: C21H32BrNO2
Average molar mass: 410.4 g/mol
Monoisotopic mass: 409.16164

Names & identifiers

Preferred name: 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, hexanoate (ester), hydrobromide
IUPAC: [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] hexanoate bromide

Names & synonyms

6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, hexanoate (ester), hydrobromide6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane hexanoate (ester) hydrobromide56232-08-7RefChem:307187

Database identifiers

CAS: 56232-08-7
PubChem CID: 41812

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 438

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