Basic information
- CAS
63916-73-4- Standard SMILES
C[NH+]1CC[C@@H]2CCCC(OC(=O)c3ccccc3)[C@@H]2C1.[Cl-]- InChIKey
YSHZIKZWOGLLFO-RDXSVFNDSA-N- Molecular formula
- C17H24ClNO2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1495567
Names & identifiers
- Preferred name
- 2-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)
- IUPAC
- [(4aS,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-8-yl] benzoate chloride
Names & synonyms
63916-73-4DTXSID609810232-Methyldecahydroisoquinolin-8-yl benzoate--hydrogen chloride (1/1)RefChem:1063814DTXCID701408296cis-Decahydro-2-methylisoquinolin-8-yl benzoate hydrochloridecis-Decahydro-8-benzoyloxy-2-methylisoquinoline hydrochlorideIsoquinoline, decahydro-8-benzoyloxy-2-methyl-, hydrochloride, (Z)-BENZOIC ACID, DECAHYDRO-2-METHYLISOQUINOLIN-8-YL ESTER, HYDROCHLORIDE, (Z)-
Database identifiers
- CAS
63916-73-4- PubChem CID
- 45232
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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