Basic information
- CAS
16974-19-9- Standard SMILES
CCCCC(C)(C)c1[nH+]ccc2cc3c(cc12)OCO3.[Cl-]- InChIKey
PBLMSRODRXSIES-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO2
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.1339066
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 5-(1,1-dimethylpentyl)-, hydrochloride
- IUPAC
- 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
5-(1,1-Dimethylpentyl)-1,3-dioxolo(4,5-g)isoquinoline hydrochloride1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5-(1,1-DIMETHYLPENTYL)-, HYDROCHLORIDE16974-19-9RefChem:219025
Database identifiers
- CAS
16974-19-9- PubChem CID
- 28172
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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