Basic information
- CAS
6309-71-3- Standard SMILES
C[N+]1(CCC[N+]2(C)CC3CC=CCC3C2)CCOCC1.[I-].[I-]- InChIKey
OEHNXJQKRSDFFA-UHFFFAOYSA-L- Molecular formula
- C17H32I2N2O
- Average molar mass
- 534.3 g/mol
- Monoisotopic mass
- 534.06041
Names & identifiers
- Preferred name
- Isoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(3-(4-methyl-4-morpholinio)propyl)-, diiodide
- IUPAC
- 4-methyl-4-[3-(2-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-ium-2-yl)propyl]morpholin-4-ium diiodide
Names & synonyms
6309-71-3Isoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(3-(4-methyl-4-morpholinio)propyl)-, diiodideRefChem:10875662-Methyl-2-(3-(4-methyl-4-morpholinio)propyl)-3a,4,7,7a-tetrahydroisoindolinium diiodide8-(N-Methylmorpholiniumpropyl)-8-methyl-8-azoniumbicyclo-(4.3.0)-nonene-2 diiodideNSC 41618
Database identifiers
- CAS
6309-71-3- PubChem CID
- 22757
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
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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