Basic information
- Standard SMILES
Cn1/c(=N\N=C/c2ccc[n+](CCO)c2)sc2ccccc21.[Br-]- InChIKey
VBRDHPDFPOSIPR-SQNMRHCTSA-M- Molecular formula
- C16H17BrN4OS
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.03064
Names & identifiers
- Preferred name
- 2-[3-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethanol bromide
- IUPAC
- 2-[3-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]pyridin-1-ium-1-yl]ethanol bromide
Names & synonyms
SCHEMBL4458051
Database identifiers
- PubChem CID
- 87674072
Properties
Computed structural properties
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
1 records
Compound notes
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