Basic information
- CAS
101573-65-3- Standard SMILES
ClCC1Cc2ccccc2C[NH+]1Cc1ccccc1.[Cl-]- InChIKey
BOPMZDBMFODSNA-UHFFFAOYSA-N- Molecular formula
- C17H19Cl2N
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.089455
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-3-chloromethyl-, hydrochloride
- IUPAC
- 2-benzyl-3-(chloromethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
101573-65-3ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-BENZYL-3-CHLOROMETHYL-, HYDROCHLORIDERefChem:1087722ERL-5552-Benzyl-3-chloromethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
101573-65-3- PubChem CID
- 58550
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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