tetraallyl-bicyclic guanidinium iodide | SBID = 1971 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C19H30IN3 | ||
| M / g/mol: | 427.36607 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical host, charged
- Name: tetraallyl-bicyclic guanidinium iodide
- Preferred Abbreviation: tetraallyl-bicyclic guanidinium iodide
- IUPAC Name: 2,2,8,8-tetraallyl-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium iodide
- CAS:
- CID: -846
- InChiKey: KJCRSVWFQSMAFU-UHFFFAOYSA-N
- InChi: InChI=1S/C19H29N3.HI/c1-5-9-18(10-6-2)13-15-22-16-14-19(11-7-3,12-8-4)21-17(22)20-18;/h5-8H,1-4,9-16H2,(H,20,21);1H
- CanoSmiles: C=CCC1(CC[N+]2=C(N1)NC(CC2)(CC=C)CC=C)CC=C.[I-]
- IsoSmiles: C=CCC1(CC=C)CC[N+]2=C(NC(CC=C)(CC=C)CC2)N1.[I-]
