Basic information
- CAS
72252-45-0- Standard SMILES
CC(=O)[O-].CN(CCCl)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1- InChIKey
GMIHMJDYWZDDEC-UHFFFAOYSA-M- Molecular formula
- C24H29ClN2O2
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1917559
Names & identifiers
- Preferred name
- 3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)
- IUPAC
- N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline acetate
Names & synonyms
72252-45-0DTXSID2072546EINECS 276-537-13H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate (1:1)3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1)RefChem:95783DTXCID70472752-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetateLQ5F5X8VBBNS00091469
Show more names
2-(2-{4-[(2-Chloroethyl)(methyl)amino]phenyl}ethen-1-yl)-1,3,3-trimethyl-3H-indol-1-ium acetate
Database identifiers
- CAS
72252-45-0- PubChem CID
- 6442017
- UNII
- LQ5F5X8VBB
Properties
Computed structural properties
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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