Benzenamine, 4-((6,7-dimethoxy-4-isoquinolinyl)methyl)-N,N-dimethyl-, hydrobromide (1:1)
Basic information
- CAS
74195-72-5- Standard SMILES
COc1cc2cncc(Cc3ccc([NH+](C)C)cc3)c2cc1OC.[Br-]- InChIKey
KTXXIELLFWHMPE-UHFFFAOYSA-N- Molecular formula
- C20H23BrN2O2
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 402.09429
Names & identifiers
- Preferred name
- Benzenamine, 4-((6,7-dimethoxy-4-isoquinolinyl)methyl)-N,N-dimethyl-, hydrobromide (1:1)
- IUPAC
- [4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]phenyl]-dimethylazanium bromide
Names & synonyms
74195-72-5RefChem:1078165Benzenamine, 4-((6,7-dimethoxy-4-isoquinolinyl)methyl)-N,N-dimethyl-, hydrobromide (1:1)6,7-Dimethoxy-4-(p-(dimethylamino)benzyl)isoquinoline hydrobromideISOQUINOLINE, 6,7-DIMETHOXY-4-(p-(DIMETHYLAMINO)BENZYL)-, HYDROBROMIDE
Database identifiers
- CAS
74195-72-5- PubChem CID
- 52974
Properties
Computed structural properties
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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