Basic information
- CAS
30194-71-9- Standard SMILES
Nc1ccc(C(=O)[NH2+]CC[NH+]2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1.[Cl-].[Cl-].[Cl-]- InChIKey
ZKJJCBNOLRYVGC-UHFFFAOYSA-N- Molecular formula
- C21H28Cl4N4O3
- Average molar mass
- 526.3 g/mol
- Monoisotopic mass
- 524.091552
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chloro-, trihydrochloride
- IUPAC
- (4-amino-2-chlorobenzoyl)-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethyl]azanium trichloride
Names & synonyms
30194-71-9Benzamide, 4-amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chloro-, trihydrochloride4-Amino-N-(2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)ethyl)-2-chlorobenzamide 3HClRefChem:321677
Database identifiers
- CAS
30194-71-9- PubChem CID
- 34846
Properties
Computed structural properties
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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