Basic information
- CAS
90094-63-6- Standard SMILES
C[N+](C)(C)Cc1c[nH]c2ccc(CCc3ccc4[nH]cc(C[N+](C)(C)C)c4c3)cc12.[I-].[I-]- InChIKey
RPUVTNHKVGJZLG-UHFFFAOYSA-L- Molecular formula
- C26H36I2N4
- Average molar mass
- 658.4 g/mol
- Monoisotopic mass
- 658.10294
Names & identifiers
- Preferred name
- 1H-Indole-3-methanaminium, 5,5'-(1,2-ethanediyl)bis(N,N,N-trimethyl)-, diiodide
- IUPAC
- trimethyl-[[5-[2-[3-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]ethyl]-1H-indol-3-yl]methyl]azanium diiodide
Names & synonyms
90094-63-63,3'-Di(trimethylammoniummethyl)-1,2-(5,5'-diindolyl)ethane diiodide5,5'-(1,2-Ethanediyl)bis(N,N,N-trimethyl)-1H-indole-3-methanaminium diiodide1H-INDOLE-3-METHANAMINIUM, 5,5'-(1,2-ETHANEDIYL)BIS(N,N,N-TRIMETHYL)-, DIIODIDERefChem:239131DTXSID001009154N,N'-{Ethane-1,2-diylbis[(1H-indole-5,3-diyl)methylene]}bis(N,N-dimethylmethanaminium) diiodide
Database identifiers
- CAS
90094-63-6- PubChem CID
- 56042
- DTXSID
DTXSID001009154
Properties
Computed structural properties
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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