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Basic information
- Standard SMILES
CN(C)CCOC(=O)Nc1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1.Cl- InChIKey
NIDZPCWCSGPFJN-UHFFFAOYSA-N- Molecular formula
- C21H26Cl3N3O2
- Average molar mass
- 458.8 g/mol
- Monoisotopic mass
- 457.10906
Names & identifiers
- Preferred name
- [3-(6,8-Dichloro-2-methyl-1,2,3,4-tetrahydro-isoquinolin-4-yl)-phenyl]-carbamic Acid 2-dimethylamino-ethyl Ester-Hydrochloride Salt
- IUPAC
- 2-(dimethylamino)ethyl N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate;hydrochloride
Names & synonyms
SCHEMBL6499801NIDZPCWCSGPFJN-UHFFFAOYSA-N[3-(6,8-Dichloro-2-methyl-1,2,3,4-tetrahydro-isoquinolin-4-yl)-phenyl]-carbamic Acid 2-dimethylamino-ethyl Ester-Hydrochloride Salt
Database identifiers
- PubChem CID
- 69802468
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 522
Related reactions
1 records
Compound notes
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