(2,3-Dimethoxyphenyl)-N,N,N-trimethylmethanaminium iodide
Basic information
- CAS
94483-70-2- Standard SMILES
COc1cccc(C[N+](C)(C)C)c1OC.[I-]- InChIKey
QCBOKYMCNBFLID-UHFFFAOYSA-M- Molecular formula
- C12H20INO2
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 337.05388
Names & identifiers
- Preferred name
- (2,3-Dimethoxyphenyl)-N,N,N-trimethylmethanaminium iodide
- IUPAC
- (2,3-dimethoxyphenyl)methyl-trimethylazanium iodide
Names & synonyms
94483-70-2(2,3-Dimethoxyphenyl)-N,N,N-trimethylmethanaminium iodideDTXSID20915485(2,3-Dimethoxyphenyl)-N,N,N- trimethylmethanaminium iodideBenzenemethanaminium, 2,3-dimethoxy-N,N,N-trimethyl-, iodide
Database identifiers
- CAS
94483-70-2- PubChem CID
- 178741
- DTXSID
DTXSID20915485
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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