Basic information
- CAS
63937-95-1- Standard SMILES
CCOc1ccc2c(c1)CC[NH+](C)C2.[Cl-]- InChIKey
LBTYNXYRVDKFTF-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6-ethoxy-2-methyl-, hydrochloride
- IUPAC
- 6-ethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-6-ethoxy-2-methyl-, hydrochlorideRefChem:1087750N-Methyl-6-ethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride63937-95-1ISOQUINOLINE, N-METHYL-6-ETHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE
Database identifiers
- CAS
63937-95-1- PubChem CID
- 45545
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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