2-methylisoquinolin-2-ium | SBID = 2179 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 3.9 | ||
| Ertl TPSA/Å2: | 3.88 | ||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | 1.37 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 121.7 | ||
| Sum Formula: | C10H10N+ | ||
| M / g/mol: | 144.19 | ||
| Complexity: | 133.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 2-methylisoquinolin-2-ium
- Preferred Abbreviation: N-Methylisoquinolinium
- IUPAC Name: 2-methylisoquinolin-2-ium
- CAS:
- CID: 19851
- InChiKey: ZONQVNWUCWMRBX-UHFFFAOYSA-N
- InChi: InChI=1S/C10H10N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3/q+1
- CanoSmiles: C[N+]1=CC2=CC=CC=C2C=C1
- IsoSmiles: C[N+]1=CC2=CC=CC=C2C=C1
