Basic information
- CAS
793603-48-2- Standard SMILES
Cn1cc(CCc2cc[n+](CCC[N+](C)(C)C)cc2)c2ccccc21- InChIKey
ADCSYVXJAPHBFY-UHFFFAOYSA-N- Molecular formula
- C22H31N3+2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.251798
Names & identifiers
- Preferred name
- Methindethyrium ion
- IUPAC
- trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium
Names & synonyms
Methindethyrium ionMethindethyrium cationUNII-5ZB71W73QJ5ZB71W73QJ793603-48-2Pyridinium, 4-(2-(1-methyl-1H-indol-3-yl)ethyl)-1-(3-(trimethylammonio)propyl)-Q27263096
Database identifiers
- CAS
793603-48-2- PubChem CID
- 18904
- UNII
- 5ZB71W73QJ
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 8.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 2
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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