Basic information
- Standard SMILES
CC1c2ccccc2CCN1CCc1ccc([N+](=O)[O-])cc1.Cl- InChIKey
RYAKEYNPLAJPCT-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O2
- Average molar mass
- 332.8 g/mol
Names & identifiers
- Preferred name
- N-(4-nitrophenethyl)-1,2,3,4-tetrahydro-1-methylisoquinoline hydrochloride
- IUPAC
- 1-methyl-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
Names & synonyms
SCHEMBL10659781RYAKEYNPLAJPCT-UHFFFAOYSA-NN-(4-nitrophenethyl)-1,2,3,4-tetrahydro-1-methylisoquinoline hydrochloride
Database identifiers
- PubChem CID
- 21295817
Properties
Computed structural properties
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
1 records
Compound notes
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