Basic information
- CAS
6271-07-4- Standard SMILES
COc1cc(C2=[NH+]CCc3cc4c(cc32)OCO4)cc(OC)c1OC.[Cl-]- InChIKey
SYTHQDNJJPJHPF-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO5
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.1030004
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinoline, 7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-, hydrochloride
- IUPAC
- 5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
1,3-Dioxolo(4,5-g)isoquinoline, 7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-, hydrochloride6271-07-4RefChem:1052921NSC 367947,8-Dihydro-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo(g)isoquinoline hydrochloride
Database identifiers
- CAS
6271-07-4- PubChem CID
- 22653
Properties
Computed structural properties
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…