Basic information
- CAS
61189-86-4- Standard SMILES
COc1cccc2c(Cc3ccc(Cl)cc3)c[nH+]cc12.CS(=O)(=O)[O-]- InChIKey
NVKDPQAJLGEITF-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO4S
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.0645069
Names & identifiers
- Preferred name
- Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate
- IUPAC
- 4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium;methanesulfonate
Names & synonyms
4-(p-Chlorobenzyl)-7-methoxyisoquinoline methanesulfonateISOQUINOLINE, 4-(p-CHLOROBENZYL)-7-METHOXY-, METHANESULFONATE61189-86-4RefChem:350044
Database identifiers
- CAS
61189-86-4- PubChem CID
- 43562
Properties
Computed structural properties
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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