3H-Indolium, 2-(2-((2,4-dimethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (2:1)
Basic information
- CAS
41311-17-5- Standard SMILES
COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.COc1ccc(N/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.O=S(=O)([O-])[O-]- InChIKey
QUDUEWXQHQRQAZ-UHFFFAOYSA-N- Molecular formula
- C42H50N4O8S
- Average molar mass
- 770.9 g/mol
- Monoisotopic mass
- 770.33493574
Names & identifiers
- Preferred name
- 3H-Indolium, 2-(2-((2,4-dimethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (2:1)
- IUPAC
- bis(2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline);sulfate
Names & synonyms
3H-Indolium, 2-(2-((2,4-dimethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (2:1)41311-17-5DTXSID90682973H-Indolium, 2-[2-[(2,4-dimethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1)RefChem:95771DTXCID1039894Bis{2-[2-(2,4-dimethoxyanilino)ethen-1-yl]-1,3,3-trimethyl-3H-indol-1-ium} sulfate
Database identifiers
- CAS
41311-17-5- PubChem CID
- 6451709
- DTXSID
DTXSID9068297
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 588
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Indolium, 2-[2-[(2,4-dimethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (2:1): INACTIVE
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Compound notes
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