Basic information
- CAS
24050-58-6- Standard SMILES
COc1cc(C(=O)OCCC[NH2+]CCC(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Cl-]- InChIKey
YMKRGIWLUMQQED-UHFFFAOYSA-N- Molecular formula
- C28H34ClNO5
- Average molar mass
- 500 g/mol
- Monoisotopic mass
- 499.2125509
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 3-((3,3-diphenylpropyl)amino)propyl ester, hydrochloride
- IUPAC
- 3,3-diphenylpropyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
Names & synonyms
Benzoic acid, 3,4,5-trimethoxy-, 3-((3,3-diphenylpropyl)amino)propyl ester, hydrochloride24050-58-6RefChem:10790153-(3,3-Diphenylpropylamino)propyl-3',4',5'-trimethoxybenzoate hydrochloride3,4,5-Trimethoxybenzoic acid 3-((3,3-diphenylpropyl)amino)propyl ester hydrochloride3,3-diphenylpropyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium;chlorideNS00122202
Database identifiers
- CAS
24050-58-6- PubChem CID
- 32197
Properties
Computed structural properties
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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