Basic information
- CAS
63732-06-9- Standard SMILES
[Cl-].[Cl-].c1ccc2c(c1)CC[NH+](CCCCCCC[NH+]1CCc3ccccc3C1)C2- InChIKey
YJVZPUHXDCARQK-UHFFFAOYSA-N- Molecular formula
- C25H36Cl2N2
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 434.2255545
Names & identifiers
- Preferred name
- Isoquinoline, 2,2'-(1,7-heptanediyl)bis(1,2,3,4-tetrahydro-, dihydrochloride
- IUPAC
- 2-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)heptyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride
Names & synonyms
63732-06-9ISOQUINOLINE, 2,2'-(1,7-HEPTANEDIYL)BIS(1,2,3,4-TETRAHYDRO-, DIHYDROCHLORIDERefChem:10877641,7-Bis(N-tetrahydroisoquinolyl)heptane dihydrochloride2,2'-(1,7-Heptanediyl)bis(1,2,3,4-tetrahydroisoquinoline) dihydrochloride
Database identifiers
- CAS
63732-06-9- PubChem CID
- 44647
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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