Basic information
- CAS
63937-94-0- Standard SMILES
CCOc1c(OC)ccc2c1CC[NH+](C)C2.[Cl-]- InChIKey
YCYZOIQALXJNBC-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO2
- Average molar mass
- 257.75 g/mol
- Monoisotopic mass
- 257.1182566
Names & identifiers
- Preferred name
- Isoquinoline, N-methyl-5-ethoxy-6-methoxy-1,2,3,4-tetrahydro-, hydrochloride
- IUPAC
- 5-ethoxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
ISOQUINOLINE, N-METHYL-5-ETHOXY-6-METHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE63937-94-0RefChem:1087782N-Methyl-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
63937-94-0- PubChem CID
- 45543
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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