6-Methoxy-1-methylquinolinium | SBID = 966 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 13.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 143.0 | ||
| Sum Formula: | C11H12NO+ | ||
| M / g/mol: | 174.22 | ||
| Complexity: | 172.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: 6-Methoxy-1-methylquinolinium
- Preferred Abbreviation: 6-Methoxy-1-methylquinolinium
- IUPAC Name: 6-methoxy-1-methylquinolin-1-ium
- CAS: 21979-20-4
- CID: 89122
- InChiKey: BSESTDRCWOIFNQ-UHFFFAOYSA-N
- InChi: InChI=1S/C11H12NO/c1-12-7-3-4-9-8-10(13-2)5-6-11(9)12/h3-8H,1-2H3/q+1
- CanoSmiles: C[N+]1=CC=CC2=C1C=CC(=C2)OC
- IsoSmiles: C[N+]1=CC=CC2=C1C=CC(=C2)OC
