Basic information
- Standard SMILES
CCn1c(Cl)c2ccccc2c1C=Cc1sc2ccccc2[n+]1CC.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
YGNUUHWUKJSLLQ-UHFFFAOYSA-M- Molecular formula
- C21H20Cl2N2O4S
- Average molar mass
- 467.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-(3-Chloro-2-ethylisoindol-1-yl)vinyl]-3-ethylbenzothiazolium perchlorate
- IUPAC
- 2-[2-(3-chloro-2-ethylisoindol-1-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium perchlorate
Names & synonyms
SCHEMBL11697519YGNUUHWUKJSLLQ-UHFFFAOYSA-M2-[2-(3-Chloro-2-ethylisoindol-1-yl)vinyl]-3-ethylbenzothiazolium perchlorate
Database identifiers
- PubChem CID
- 86734873
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Related reactions
1 records
Compound notes
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