Trazium Esilate
1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol;ethanesulfonate
| Molecular Formula | C19H18ClN3O4S |
|---|---|
| Molecular Weight | 419.9 g/mol |
| Topological Polar Surface Area | 114.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 419.07065 |
| Heavy Atoms | 28 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 97110-59-3 |
|---|---|
| SMILES | CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2C(N=CN3)(C4=CC=C(C=C4)Cl)O |
| InChIKey | SHXJBCWOVPAZQL-UHFFFAOYSA-M |
📖 Product Overview
Trazium Esilate (CAS: 97110-59-3) is a chemical compound with molecular formula C19H18ClN3O4S and molecular weight 419.9 g/mol. Its IUPAC systematic name is 1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol;ethanesulfonate.
SHXJBCWOVPAZQL-UHFFFAOYSA-M.
SMILES: CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2C(N=CN3)(C4=CC=C(C=C4)Cl)O.
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