Basic information
- Standard SMILES
CC(C)(CC(=O)OCC[N+]1(C)CCCCC1)NC(=O)OCc1ccccc1- InChIKey
QUUVFWJGBXCAOQ-UHFFFAOYSA-O- Molecular formula
- C21H33N2O4+
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.24403254
Names & identifiers
- Preferred name
- 2-(1-Methylpiperidin-1-ium-1-yl)ethyl 3-methyl-3-(phenylmethoxycarbonylamino)butanoate
- IUPAC
- 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-methyl-3-(phenylmethoxycarbonylamino)butanoate
Names & synonyms
SCHEMBL12852803
Database identifiers
- PubChem CID
- 60134508
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 481
Related reactions
1 records
Compound notes
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