Isoquinolinium, 3,4-dihydro-6,7-dihydroxy-2-pentyl-, chloride (1:1)
Basic information
- CAS
6318-73-6- Standard SMILES
CCCCC[N+]1=Cc2cc(O)c(O)cc2CC1.[Cl-]- InChIKey
LPSZIENOLKNQIZ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- Isoquinolinium, 3,4-dihydro-6,7-dihydroxy-2-pentyl-, chloride (1:1)
- IUPAC
- 2-pentyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride
Names & synonyms
6318-73-6RefChem:1087802Isoquinolinium, 3,4-dihydro-6,7-dihydroxy-2-pentyl-, chloride (1:1)3,4-Dihydro-6,7-dihydroxy-2-amylisoquinolinium chlorideNSC 316883,4-Dihydro-6,7-dihydroxy-2-pentylisoquinolinium chlorideISOQUINOLINIUM, 3,4-DIHYDRO-6,7-DIHYDROXY-2-PENTYL-, CHLORIDENSC31688NSC-31688
Database identifiers
- CAS
6318-73-6- PubChem CID
- 22774
Properties
Computed structural properties
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
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Related reactions
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Compound notes
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