Isoquinoline, 1,2,3,4-tetrahydro-2-(2-piperidinoethyl)-, dihydrochloride
Basic information
- CAS
101670-57-9- Standard SMILES
[Cl-].[Cl-].c1ccc2c(c1)CC[NH+](CC[NH+]1CCCCC1)C2- InChIKey
NJSZMAPVPARRCG-UHFFFAOYSA-N- Molecular formula
- C16H26Cl2N2
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 316.1473042
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(2-piperidinoethyl)-, dihydrochloride
- IUPAC
- 2-(2-piperidin-1-ium-1-ylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride
Names & synonyms
101670-57-9ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDERefChem:10877131,2,3,4-Tetrahydro-2-(2-piperidinoethyl)isoquinoline dihydrochlorideN-(beta-Piperidinoetil)-1,2,3,4-tetraidroisochinoline dicloridrato [Italian]N-(beta-Piperidinoetil)-1,2,3,4-tetraidroisochinoline dicloridrato
Database identifiers
- CAS
101670-57-9- PubChem CID
- 58701
Properties
Computed structural properties
- Topological polar surface area
- 8.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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