Basic information
- CAS
3189-39-7- Standard SMILES
C[N+]1(CCC[N+]2(C)Cc3ccccc3C2)CCOCC1.[I-].[I-]- InChIKey
LCGNRGMILDAIBN-UHFFFAOYSA-L- Molecular formula
- C17H28I2N2O
- Average molar mass
- 530.2 g/mol
- Monoisotopic mass
- 530.02911
Names & identifiers
- Preferred name
- Isoindolium, 2-methyl-2-(3-(4-methyl-4-morpholinio)propyl)-, diiodide
- IUPAC
- 4-methyl-4-[3-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium diiodide
Names & synonyms
ISOINDOLIUM, 2-METHYL-2-(3-(4-METHYL-4-MORPHOLINIO)PROPYL)-, DIIODIDE3189-39-7RefChem:10875682-(N-Methylmorpholiniumpropyl)-2-methylisoindolium diodideNSC 45138Isoindolinium, 2-methyl-2-(3-(4-methylmorpholinio)propyl)-, diiodide
Database identifiers
- CAS
3189-39-7- PubChem CID
- 18525
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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