Basic information
- CAS
41958-56-9- Standard SMILES
C[C@@H]1[NH2+]Cc2ccccc2C1c1ccccc1.[Br-]- InChIKey
VZPAJBOGYOZBIK-KQZUKLOFSA-N- Molecular formula
- C16H18BrN
- Average molar mass
- 304.22 g/mol
- Monoisotopic mass
- 303.06226
Names & identifiers
- Preferred name
- 3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
- IUPAC
- (3S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
41958-56-9DTXSID709621063-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)RefChem:1068252DTXCID101389919Isoquinoline, 3-methyl-4-phenyl-1,2,3,4-tetrahydro-, hydrobromide, (E)-trans-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromideISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3-METHYL-4-PHENYL-, HYDROBROMIDE, (E)-
Database identifiers
- CAS
41958-56-9- PubChem CID
- 39054
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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