Basic information
- Standard SMILES
CC[N+]1=C(C)C(C)(C)c2cc(P(=O)(O)O)ccc21- InChIKey
SESBSAWNGJHVHB-UHFFFAOYSA-O- Molecular formula
- C13H19NO3P+
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.11025547
Names & identifiers
- Preferred name
- 1-ethyl-2,3,3-trimethyl-5-phosphono-3H-indolium
- IUPAC
- (1-ethyl-2,3,3-trimethylindol-1-ium-5-yl)phosphonic acid
Names & synonyms
SCHEMBL2057049SESBSAWNGJHVHB-UHFFFAOYSA-O1-ethyl-2,3,3-trimethyl-5-phosphono-3H-indolium
Database identifiers
- PubChem CID
- 59360601
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 424
Related reactions
1 records
Compound notes
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