Basic information
- CAS
33484-49-0- Standard SMILES
CCCOC(=O)c1c[n+](C)c2n(c1=O)C(C)CCC2.COS(=O)(=O)[O-]- InChIKey
JZKRGCHNGZXPGJ-UHFFFAOYSA-M- Molecular formula
- C15H24N2O7S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.13042228
Names & identifiers
- Preferred name
- 4H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-, methyl sulfate, propyl ester
- IUPAC
- methyl sulfate;propyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
Names & synonyms
MZ-21333484-49-04H-Pyrido(1,2-a)pyrimidinium, 6,7,8,9-tetrahydro-3-carboxy-1,6-dimethyl-4-oxo-, methyl sulfate, propyl esterRefChem:2977941,6-dimethyl-4-oxo-3-(propoxycarbonyl)-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-1-ium methyl sulfateDTXSID50955112
Database identifiers
- CAS
33484-49-0- PubChem CID
- 214567
- DTXSID
DTXSID50955112
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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