(3-Methoxyphenyl)-N,N,N-trimethylmethanaminium bromide
Basic information
- CAS
71323-94-9- Standard SMILES
COc1cccc(C[N+](C)(C)C)c1.[Br-]- InChIKey
CIRWEZJXZRWTHE-UHFFFAOYSA-M- Molecular formula
- C11H18BrNO
- Average molar mass
- 260.17 g/mol
- Monoisotopic mass
- 259.05718
Names & identifiers
- Preferred name
- (3-Methoxyphenyl)-N,N,N-trimethylmethanaminium bromide
- IUPAC
- (3-methoxyphenyl)methyl-trimethylazanium bromide
Names & synonyms
71323-94-9DTXSID90991655(3-methoxyphenyl)-N,N,N-trimethylmethanaminium bromideRefChem:1050107DTXCID201418735WV 719 [German](m-Methoxybenzyl)trimethylammonium bromideCHEMBL300176N-(m-Methoxybenzyl)-N,N,N-trimethylammonium bromideWV 719AMMONIUM, (m-METHOXYBENZYL)TRIMETHYL-, BROMIDE
Database identifiers
- CAS
71323-94-9- PubChem CID
- 51298
- DTXSID
DTXSID90991655- ChEMBL
CHEMBL300176
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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