Basic information
- CAS
100466-46-4- Standard SMILES
[Br-].c1ccc(C[n+]2ccc3c(c2)CCCC3)cc1- InChIKey
YNIKQTMUHOZUQD-UHFFFAOYSA-M- Molecular formula
- C16H18BrN
- Average molar mass
- 304.22 g/mol
- Monoisotopic mass
- 303.06226
Names & identifiers
- Preferred name
- 2-Benzyl-5,6,7,8-tetrahydroisoquinolin-2-ium bromide
- IUPAC
- 2-benzyl-5,6,7,8-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
NSC620191SCHEMBL7347140CHEMBL1974649NSC-620191
Database identifiers
- CAS
100466-46-4- PubChem CID
- 359381
- ChEMBL
CHEMBL1974649
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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