N-Methylquinuclidinium iodide | SBID = 647 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| 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: | |||
| Sum Formula: | C8H16IN | ||
| M / g/mol: | 253.12 | ||
| Complexity: | 98.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: typical guest, charged
- Name: N-Methylquinuclidinium iodide
- Preferred Abbreviation: N-Methylquinuclidinium iodide
- IUPAC Name: 1-methyl-1-azoniabicyclo[2.2.2]octane;iodide
- CAS: 3618-94-8
- CID: 12443630
- InChiKey: TUTNHWJJFPQYAG-UHFFFAOYSA-M
- InChi: InChI=1S/C8H16N.HI/c1-9-5-2-8(3-6-9)4-7-9;/h8H,2-7H2,1H3;1H/q+1;/p-1
- CanoSmiles: C[N+]12CCC(CC1)CC2.[I-]
- IsoSmiles: C[N+]12CCC(CC1)CC2.[I-]
