Basic information
- CAS
17105-22-5- Standard SMILES
CCC(C)Cc1[nH+]c(C)cc2cc3c(cc12)OCO3.[Cl-]- InChIKey
WSYOFFJHJFJHRM-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO2
- Average molar mass
- 293.79 g/mol
- Monoisotopic mass
- 293.1182566
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-(2-methylbutyl)-, hydrochloride
- IUPAC
- 7-methyl-5-(2-methylbutyl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
17105-22-51-(2-Methylbutyl)-3-methyl-6,7-methylenedioxyisoquinoline hydrochloride7-Methyl-5-(2-methylbutyl)-1,3-dioxolo(4,5-g)isoquinoline hydrochloride1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 7-METHYL-5-(2-METHYLBUTYL)-, HYDROCHLORIDERefChem:219037
Database identifiers
- CAS
17105-22-5- PubChem CID
- 28285
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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