4-(4-Bromophenyl)-N-isoquinoline pyridinium chloride | SBID = 2572 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 0 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 16.77 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 5.61 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C21H17ClN2 | ||
| M / g/mol: | 332.82608 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 4-(4-Bromophenyl)-N-isoquinoline pyridinium chloride
- Preferred Abbreviation: N1
- IUPAC Name:
- CAS:
- CID: -1129
- InChiKey:
- InChi:
- CanoSmiles:
- IsoSmiles: [Cl-].BrC1=CC=C(C=C1)C1=CC=[N+](C=C1)C1=CC=C2C=NC=CC2=C1
