Basic information
- CAS
94213-55-5- Standard SMILES
COc1ccc(CC2=c3cc(OC)c(OC)cc3=CCN2)cc1OC- InChIKey
IKZYPGQHZBTYBP-UHFFFAOYSA-N- Molecular formula
- C20H23NO4
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.16270821
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxybenzyl)-2,3-dihydro-6,7-dimethoxyisoquinolinium chloride
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline
Names & synonyms
EINECS 303-759-91-(3,4-Dimethoxybenzyl)-2,3-dihydro-6,7-dimethoxyisoquinolinium chlorideNSC 9980294213-55-5
Database identifiers
- CAS
94213-55-5- PubChem CID
- 418320
- EC Number
- 303-759-9
- Nikkaji
- J375.926A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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