Basic information
- CAS
63937-33-7- Standard SMILES
C[C@H]1C(c2ccccc2)c2cc([N+](=O)[O-])ccc2C[NH+]1C.[Cl-]- InChIKey
RAUFOFXMNPBTOY-HSQRQWGBSA-N- Molecular formula
- C17H19ClN2O2
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1135055
Names & identifiers
- Preferred name
- 2,3-Dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
- IUPAC
- (3S)-2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
63937-33-7DTXSID309811762,3-Dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)RefChem:1059467DTXCID101408448Isoquinoline, 1,2,3,4-tetrahydro-2,3-dimethyl-6-nitro-4-phenyl-, hydrochloride, (E)-Isoquinoline, 2,3-dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-trans-2,3-Dimethyl-6-nitro-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
63937-33-7- PubChem CID
- 45477
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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