1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-7-(3-phenylpropyl)-, hydrochloride
Basic information
- CAS
66902-34-9- Standard SMILES
COc1c2c(cc3c1OCO3)CC(CCCc1ccccc1)[NH+](C)C2.[Cl-]- InChIKey
IKJDQKMKZXMARR-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO3
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1601214
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-7-(3-phenylpropyl)-, hydrochloride
- IUPAC
- 4-methoxy-6-methyl-7-(3-phenylpropyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
66902-34-91(3-Phenylpropyl)-2-methyl-6,7-methylenedioxy-8-methoxy-1,2,3,4-tetrahydroisoquinoline HCl1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-7-(3-phenylpropyl)-, hydrochlorideRefChem:219017
Database identifiers
- CAS
66902-34-9- PubChem CID
- 48230
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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