Basic information
- CAS
101670-55-7- Standard SMILES
COc1ccc2c(c1)C[NH+](CC[NH+]1CCCCC1)CC2.[Cl-].[Cl-]- InChIKey
OTMVZRSSYQYRGN-UHFFFAOYSA-N- Molecular formula
- C17H28Cl2N2O
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 346.1578689
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-2-(2-piperidinoethyl)-, dihydrochloride
- IUPAC
- 7-methoxy-2-(2-piperidin-1-ium-1-ylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium dichloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-2-(2-piperidinoethyl)-, dihydrochloride101670-55-7RefChem:10877541,2,3,4-Tetrahydro-7-methoxy-2-(2-piperidinoethyl)isoquinoline dihydrochlorideN-(beta-Piperidinoetil)-7-metossi-1,2,3,4-tetraidroisochinoline dicloridrato [Italian]N-(beta-Piperidinoetil)-7-metossi-1,2,3,4-tetraidroisochinoline dicloridrato
Database identifiers
- CAS
101670-55-7- PubChem CID
- 58697
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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