Basic information
- Standard SMILES
COc1ccccc1N1CCN(CCC2OCCc3ccccc32)CC1.Cl.Cl.O- InChIKey
QMTYUAIQOKAXQC-UHFFFAOYSA-N- Molecular formula
- C22H32Cl2N2O3
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 442.1789983
Names & identifiers
- Preferred name
- 1-[2-(Isochroman-1-yl)ethyl]-4-(2-methoxyphenyl)piperazine dihydrochloride monohydrate
- IUPAC
- 1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrate;dihydrochloride
Names & synonyms
QMTYUAIQOKAXQC-UHFFFAOYSA-N1-[2-(Isochroman-1-yl)ethyl]-4-(2-methoxyphenyl)piperazine dihydrochloride monohydrate
Database identifiers
- PubChem CID
- 23288951
Properties
Computed structural properties
- Topological polar surface area
- 25.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 424
Related reactions
28 records
Compound notes
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