3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
Basic information
- CAS
37415-52-4- Standard SMILES
COc1ccc(CC2=c3cc(OC)c(OC)cc3=CC(=O)[NH+]2C)cc1OC.[Cl-]- InChIKey
SURRETGRDSOPKP-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO5
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1343006
Names & identifiers
- Preferred name
- 3(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-veratryl-, hydrochloride
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2H-isoquinolin-2-ium-3-one chloride
Names & synonyms
NSC 2887513(2H)-ISOQUINOLINONE, 6,7-DIMETHOXY-2-METHYL-1-VERATRYL-, HYDROCHLORIDE6,7-Dimethoxy-2-methyl-1-veratryl-3(2H)-isoquinolone hydrochloride3(2H)-Isoquinolinone, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-, hydrochloride37415-52-4RefChem:269465
Database identifiers
- CAS
37415-52-4- PubChem CID
- 37730
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 718
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Compound notes
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