Basic information
- CAS
72050-76-1- Standard SMILES
C[NH+]1CCN(CCOC(=O)CC2C=CC=CC=C2)CC1.[Cl-]- InChIKey
YZMHHMGXIFFHKV-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O2
- Average molar mass
- 312.83 g/mol
- Monoisotopic mass
- 312.1604557
Names & identifiers
- Preferred name
- 2-(4-Methylpiperazin-1-yl)ethyl (cyclohepta-2,4,6-trien-1-yl)acetate--hydrogen chloride (1/1)
- IUPAC
- 2-(4-methylpiperazin-4-ium-1-yl)ethyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Names & synonyms
72050-76-1DTXSID409927732-(4-Methylpiperazin-1-yl)ethyl (cyclohepta-2,4,6-trien-1-yl)acetate--hydrogen chloride (1/1)RefChem:1061318DTXCID201419838MP 392,4,6-Cycloheptatriene-1-acetic acid, 2-(4-methylpiperazinyl)ethyl ester, hydrochloride
Database identifiers
- CAS
72050-76-1- PubChem CID
- 51535
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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