1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-7-methyl-, hydrochloride
Basic information
- CAS
17105-26-9- Standard SMILES
CCCCC(C)(C)c1[nH+]c(C)cc2cc3c(cc12)OCO3.[Cl-]- InChIKey
DYFDASRAERPVPL-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO2
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.1495567
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-7-methyl-, hydrochloride
- IUPAC
- 7-methyl-5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
5-(1,1-Dimethylpentyl)-7-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5-(1,1-DIMETHYLPENTYL)-7-METHYL-, HYDROCHLORIDE17105-26-9RefChem:219026
Database identifiers
- CAS
17105-26-9- PubChem CID
- 28287
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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