Basic information
- CAS
47440-84-6- Standard SMILES
COc1ccc(NC=CC2=[N+](C)c3ccccc3C2(C)C)c(OC)c1- InChIKey
QWIGSMCPAKBYLY-UHFFFAOYSA-O- Molecular formula
- C21H25N2O2+
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.19160304
Overview
See also: Basic Yellow 11 base (preferred).
Names & identifiers
- Preferred name
- 2-[2-(2,4-Dimethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium
- IUPAC
- 2,4-dimethoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
Names & synonyms
SCHEMBL1091912-[2-(2,4-Dimethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium
Database identifiers
- CAS
47440-84-6- PubChem CID
- 73654
- DTXSID
DTXSID60892286- Nikkaji
- J231.899G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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