Basic information
- CAS
57645-31-5- Standard SMILES
COc1cc(NC(=O)CCl)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1.[Cl-]- InChIKey
YMSJZHXYEOSPFR-UHFFFAOYSA-N- Molecular formula
- C22H26Cl3N3O3
- Average molar mass
- 486.8 g/mol
- Monoisotopic mass
- 485.103975
Names & identifiers
- Preferred name
- Benzamide, 5-chloro-4-((chloroacetyl)amino)-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride, hydrate
- IUPAC
- N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzamide chloride
Names & synonyms
57645-31-5Benzamide, 5-chloro-4-((chloroacetyl)amino)-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride, hydrateRefChem:321895
Database identifiers
- CAS
57645-31-5- PubChem CID
- 42491
Properties
Computed structural properties
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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