Basic information
- CAS
16974-20-2- Standard SMILES
Cc1cc2cc3c(cc2c(CC2(C)CCCCC2)[nH+]1)OCO3.[Cl-]- InChIKey
MYRQVNIFBMWJEH-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO2
- Average molar mass
- 333.8 g/mol
- Monoisotopic mass
- 333.1495567
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-((1-methylcyclohexyl)methyl)-, hydrochloride
- IUPAC
- 7-methyl-5-[(1-methylcyclohexyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
1,3-Dioxolo(4,5-g)isoquinoline, 7-methyl-5-((1-methylcyclohexyl)methyl)-, hydrochloride16974-20-27-Methyl-5-((1-methylcyclohexyl)methyl)-1,3-dioxolo(4,5-g)isoquinoline hydrochlorideRefChem:219034
Database identifiers
- CAS
16974-20-2- PubChem CID
- 28174
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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