Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)-2,4-pentadienylidene)-, chloride, hydrate
Basic information
- CAS
72017-52-8- Standard SMILES
C(/C=C/C=C/N1CCCc2ccccc21)=C1/[NH2+]CCc2ccccc21.[Cl-]- InChIKey
KWNDDHYFTHVEEE-ZLAUTODCSA-N- Molecular formula
- C23H25ClN2
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.1706265
Names & identifiers
- Preferred name
- Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)-2,4-pentadienylidene)-, chloride, hydrate
- IUPAC
- 1-[(1E,3E,5Z)-5-(3,4-dihydro-2H-isoquinolin-2-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline chloride
Names & synonyms
72017-52-8RefChem:1087789Isoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)-2,4-pentadienylidene)-, chloride, hydrateIsoquinolinium, 1,2,3,4-tetrahydro-1-(5-(1,2,3,4-tetrahydroquinolyl)- 2,4-pentadienylidene)-, chloride, hydrate
Database identifiers
- CAS
72017-52-8- PubChem CID
- 6435161
Properties
Computed structural properties
- Topological polar surface area
- 19.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…