Basic information
- CAS
36396-01-7- Standard SMILES
CC1(OCCC[NH+]2CCOCC2)C(=O)N(Cc2ccccc2)c2ccccc21.[Cl-]- InChIKey
ADJIDJXCJSZCEO-UHFFFAOYSA-N- Molecular formula
- C23H29ClN2O3
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.1866705
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-3-methyl-3-(3-(4-morpholinyl)propoxy)-1-(phenylmethyl)-, hydrochloride (1:1)
- IUPAC
- 1-benzyl-3-methyl-3-(3-morpholin-4-ium-4-ylpropoxy)indol-2-one chloride
Names & synonyms
36396-01-7RefChem:10652652H-Indol-2-one, 1,3-dihydro-3-methyl-3-(3-(4-morpholinyl)propoxy)-1-(phenylmethyl)-, hydrochloride (1:1)2-Indolinone, 1-benzyl-3-methyl-3-(3-(morpholino)propoxy)-, monohydrochloride, hydrate1-Benzyl-3-methyl-3-(3-(morpholino)propoxy)-2-indolinone hydrochloride hydrate
Database identifiers
- CAS
36396-01-7- PubChem CID
- 37430
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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