Basic information
- CAS
36647-02-6- Standard SMILES
COc1c2c(cc3c1C(O)[NH+](C)CC3)OCO2.[Cl-]- InChIKey
UONSFNPHCTWRGS-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO4
- Average molar mass
- 273.71 g/mol
- Monoisotopic mass
- 273.0767857
Overview
See also: Cotarnine hydrochloride (preferred).
Names & identifiers
- Preferred name
- 4-Methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-ol chloride
- IUPAC
- 4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-ol chloride
Database identifiers
- CAS
36647-02-6- PubChem CID
- 37500
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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