Basic information
- Standard SMILES
CCn1c(C=Cc2sc3ccccc3[n+]2CC)c2ccccc2c1OC.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
FDJAMPXQOWGBFV-UHFFFAOYSA-M- Molecular formula
- C22H23ClN2O5S
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.1016207
Names & identifiers
- Preferred name
- 2-[2-(2-Ethyl-3-methoxyisoindol-1-yl)vinyl]-3-ethylbenzothiazolium perchlorate
- IUPAC
- 3-ethyl-2-[2-(2-ethyl-3-methoxyisoindol-1-yl)ethenyl]-1,3-benzothiazol-3-ium perchlorate
Names & synonyms
SCHEMBL11698865FDJAMPXQOWGBFV-UHFFFAOYSA-M2-[2-(2-Ethyl-3-methoxyisoindol-1-yl)vinyl]-3-ethylbenzothiazolium perchlorate
Database identifiers
- PubChem CID
- 86734879
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Related reactions
1 records
Compound notes
Loading…