Isoindolinium, 2-(4'-(diethylmethylammonio)butyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide
Basic information
- CAS
63905-48-6- Standard SMILES
CC[N+](C)(CC)CCCC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1.[I-].[I-]- InChIKey
BGLFTGXQVFYEME-UHFFFAOYSA-L- Molecular formula
- C18H28Cl4I2N2
- Average molar mass
- 668 g/mol
- Monoisotopic mass
- 665.9096
Names & identifiers
- Preferred name
- Isoindolinium, 2-(4'-(diethylmethylammonio)butyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide
- IUPAC
- diethyl-methyl-[4-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)butyl]azanium diiodide
Names & synonyms
SU-3125Isoindolinium, 2-(4'-(diethylmethylammonio)butyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide63905-48-6Ammonium, (4-(2-methyl-4,5,6,7-tetrachloroisoindolinio)butyl)diethylmethyl-, diiodideRefChem:349613DTXSID709808804,5,6,7-Tetrachloro-2-{4-[diethyl(methyl)azaniumyl]butyl}-2-methyl-2,3-dihydro-1H-isoindol-2-ium diiodide
Database identifiers
- CAS
63905-48-6- PubChem CID
- 45084
- DTXSID
DTXSID70980880
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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