Basic information
- CAS
57553-29-4- Standard SMILES
C[N+]1(C)CCc2cc(O)c(O)cc2C1.[I-]- InChIKey
YAXUOSJEPGMBIE-UHFFFAOYSA-N- Molecular formula
- C11H16INO2
- Average molar mass
- 321.15 g/mol
- Monoisotopic mass
- 321.02258
Names & identifiers
- Preferred name
- Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dihydroxy-2,2-dimethyl-, iodide
- IUPAC
- 2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol iodide
Names & synonyms
57553-29-4ISOQUINOLINIUM, 1,2,3,4-TETRAHYDRO-6,7-DIHYDROXY-2,2-DIMETHYL-, IODIDERefChem:10877926,7-Dihydroxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium iodide6,7-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline methiodide
Database identifiers
- CAS
57553-29-4- PubChem CID
- 42466
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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