Basic information
- CAS
93202-97-2- Standard SMILES
CC1c2ccc(O)cc2C(O)C[NH+]1Cc1ccccc1.[Cl-]- InChIKey
PGXWVQFRMUHEMV-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- 2-Benzyl-1-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
- IUPAC
- 2-benzyl-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Names & synonyms
93202-97-2DTXSID709186082-Benzyl-1-methyl-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)RefChem:1062390DTXCID7013475554,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-2-(phenylmethyl)-, hydrochloride, hydrate1,2,3,4-Tetrahydro-1-methyl-2-(phenylmethyl)-4,6-isoquinolinediol hydrochloride hydrate
Database identifiers
- CAS
93202-97-2- PubChem CID
- 56580
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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