1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6,7-dimethyl-5-(1,1-dimethylpentyl)-, hydrochloride
Basic information
- CAS
19409-90-6- Standard SMILES
CCCCC(C)(C)C1c2cc3c(cc2CC(C)[NH+]1C)OCO3.[Cl-]- InChIKey
IIPQYFLHVXWNQN-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO2
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1965069
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6,7-dimethyl-5-(1,1-dimethylpentyl)-, hydrochloride
- IUPAC
- 6,7-dimethyl-5-(2-methylhexan-2-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
19409-90-61,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-6,7-dimethyl-5-(1,1-dimethylpentyl)-, hydrochloride5,6,7,8-Tetrahydro-6,7-dimethyl-5-(1,1-dimethylpentyl)-1,3-dioxolo(4,5-g)isoquinoline HClRefChem:219022
Database identifiers
- CAS
19409-90-6- PubChem CID
- 29576
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
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Compound notes
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