Basic information
- CAS
15641-54-0- Standard SMILES
COc1cc2c(cc1OC)C[NH+](CCC(C)c1ccc(Cl)cc1)CC2.O=C([O-])/C=C\C(=O)O- InChIKey
MHWJRYPPRWAZIT-BTJKTKAUSA-N- Molecular formula
- C25H30ClNO6
- Average molar mass
- 476 g/mol
- Monoisotopic mass
- 475.1761654
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)butyl)-6,7-dimethoxy-, maleate
- IUPAC
- 2-[3-(4-chlorophenyl)butyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;(Z)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-2-(3-(p-chlorophenyl)butyl)-6,7-dimethoxy-, maleate15641-54-0RefChem:10877141,2,3,4-Tetrahydro-2-(3-(p-chlorophenyl)butyl)-6,7-dimethoxyisoquinoline maleate2-(3-(p-Chlorophenyl)butyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline maleate2-(3-(p-Chlorophenyl)butyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline maleate
Database identifiers
- CAS
15641-54-0- PubChem CID
- 6433652
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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