Basic information
- Standard SMILES
COc1cc2c(CC(=O)N3CCc4ccccc4C3)cnc(CN)c2cc1OC.Cl- InChIKey
CCPWSWVJCKYOTJ-UHFFFAOYSA-N- Molecular formula
- C23H26ClN3O3
- Average molar mass
- 427.9 g/mol
- Monoisotopic mass
- 427.1662694
Names & identifiers
- Preferred name
- 2-(1-aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-ethanone hydrochloride
- IUPAC
- 2-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
Names & synonyms
SCHEMBL3362385CCPWSWVJCKYOTJ-UHFFFAOYSA-N2-(1-aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-ethanone hydrochloride
Database identifiers
- PubChem CID
- 68613583
Properties
Computed structural properties
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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