Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide
Basic information
- CAS
146794-72-1- Standard SMILES
C=CC[N+]1(C)CCN(c2nc3ccc(O)cc3s2)CC1.[I-]- InChIKey
RRIOAUBKXIZGDC-UHFFFAOYSA-N- Molecular formula
- C15H20IN3OS
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 417.03718
Names & identifiers
- Preferred name
- Piperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide
- IUPAC
- 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-ol iodide
Names & synonyms
1-Allyl-1-methyl-4-(6-hydroxybenzothioazol-2-yl)piperazinium iodide4-(6-Hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)piperazinium iodidePiperazinium, 4-(6-hydroxy-2-benzothiazolyl)-1-methyl-1-(2-propenyl)-, iodide146794-72-1RefChem:372765
Database identifiers
- CAS
146794-72-1- PubChem CID
- 3073142
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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