Isoquinolinium, 1,2,3,4-tetrahydro-2-(2-ethoxy-2-oxoethyl)-2-methyl-, iodide
Basic information
- CAS
200064-93-3- Standard SMILES
CCOC(=O)C[N+]1(C)CCc2ccccc2C1.[I-]- InChIKey
LUWVIMUPKUFTCG-UHFFFAOYSA-M- Molecular formula
- C14H20INO2
- Average molar mass
- 361.22 g/mol
- Monoisotopic mass
- 361.05388
Names & identifiers
- Preferred name
- Isoquinolinium, 1,2,3,4-tetrahydro-2-(2-ethoxy-2-oxoethyl)-2-methyl-, iodide
- IUPAC
- ethyl 2-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetate iodide
Names & synonyms
200064-93-3Isoquinolinium, 1,2,3,4-tetrahydro-2-(2-ethoxy-2-oxoethyl)-2-methyl-, iodideRefChem:10877901,2,3,4-Tetrahydro-2-(2-ethoxy-2-oxoethyl)-2-methylisoquinolinium iodideEthyl (1,2,3,4-tetrahydro-2-isoquinolyl)acetate methiodideDTXSID809419822-(2-Ethoxy-2-oxoethyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
Database identifiers
- CAS
200064-93-3- PubChem CID
- 3075741
- DTXSID
DTXSID80941982
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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