Basic information
- CAS
3095-39-4- Standard SMILES
CCCOC(=O)c1cc(C)c(NC(=O)C(C)[NH+]2CCCCC2)c(C)c1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
JTEBOYIKYDHFPH-UHFFFAOYSA-N- Molecular formula
- C20H31ClN2O7
- Average molar mass
- 446.9 g/mol
- Monoisotopic mass
- 446.181979
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dimethyl-4-((1-oxo-2-(1-piperidinyl)propyl)amino)-, propyl ester, perchlorate (1:1)
- IUPAC
- propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate
Names & synonyms
3095-39-4RefChem:1079050Benzoic acid, 3,5-dimethyl-4-((1-oxo-2-(1-piperidinyl)propyl)amino)-, propyl ester, perchlorate (1:1)Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate3,5-Dimethyl-4-(2-piperidinopropionamido)benzoic acid propyl ester perchlorate
Database identifiers
- CAS
3095-39-4- PubChem CID
- 18345
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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