Basic information
- CAS
1900-33-0- Standard SMILES
COc1cc2c(cc1OC)C(C)[NH+](CCCCc1ccc(Cl)cc1)CC2.O=C([O-])C(=O)O- InChIKey
QMUNKOQUOXYKKW-UHFFFAOYSA-N- Molecular formula
- C24H30ClNO6
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 463.1761654
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(4-(p-chlorophenyl)butyl)-6,7-dimethoxy-1-methyl-, oxalate
- IUPAC
- 2-[4-(4-chlorophenyl)butyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium;2-hydroxy-2-oxoacetate
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-(p-chlorophenyl)butyl)-6,7-dimethoxy-1-methyl-, oxalate2-(4-(p-Chlorophenyl)butyl)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline oxalate1900-33-0RefChem:349923
Database identifiers
- CAS
1900-33-0- PubChem CID
- 15917
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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