Basic information
- CAS
33484-50-3- Standard SMILES
CC(C)OC(=O)c1c[n+](C)c2n(c1=O)C(C)CCC2.COS(=O)(=O)[O-]- InChIKey
KGUNUIFPGRHXNL-UHFFFAOYSA-M- Molecular formula
- C15H24N2O7S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.13042228
Names & identifiers
- Preferred name
- MZ 214
- IUPAC
- methyl sulfate;propan-2-yl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
Names & synonyms
MZ-21433484-50-3MZ 2144H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-, methyl sulfate, isopropyl esterRefChem:357975DTXSID109551131,6-Dimethyl-4-oxo-3-{[(propan-2-yl)oxy]carbonyl}-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium methyl sulfate
Database identifiers
- CAS
33484-50-3- PubChem CID
- 214569
- DTXSID
DTXSID10955113
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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