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

HCID 41810

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Basic information

CAS: 56232-07-6
Standard SMILES: CCC(=O)Oc1cccc(C23CCCC(C2)[NH+](C)C3C)c1.[Br-]
InChIKey: SLWSTEIASSHQNX-UHFFFAOYSA-N
Molecular formula: C18H26BrNO2
Average molar mass: 368.3 g/mol
Monoisotopic mass: 367.11469

Names & identifiers

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

Names & synonyms

6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane propionate (ester) hydrobromide6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, propionate (ester), hydrobromide56232-07-6RefChem:307189

Database identifiers

CAS: 56232-07-6
PubChem CID: 41810

Properties

Computed structural properties

Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 397

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