4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-piperidinopropyl)-, oxalate
Basic information
- CAS
57462-94-9- Standard SMILES
CC1Oc2ccc(Cl)cc2N(CC(C)[NH+]2CCCCC2)C1=O.O=C([O-])C(=O)O- InChIKey
FFQQUEKNQFABKI-UHFFFAOYSA-N- Molecular formula
- C19H25ClN2O6
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1401142
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-piperidinopropyl)-, oxalate
- IUPAC
- 6-chloro-2-methyl-4-(2-piperidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one;2-hydroxy-2-oxoacetate
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-piperidinopropyl)-, oxalate57462-94-96-Chloro-2-methyl-4-(2-piperidinopropyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one oxalateRefChem:297125
Database identifiers
- CAS
57462-94-9- PubChem CID
- 42348
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 478
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