Basic information
- CAS
63982-18-3- Standard SMILES
CNC(=O)Oc1ccc2c(c1OC(=O)NC)CC[NH+](C)C2.[Cl-]- InChIKey
TZEYIOKZNXRTCG-UHFFFAOYSA-N- Molecular formula
- C14H20ClN3O4
- Average molar mass
- 329.78 g/mol
- Monoisotopic mass
- 329.1142338
Names & identifiers
- Preferred name
- Carbamic acid, methyl-, (1,2,3,4-tetrahydro-2-methyl)-5,6-isoquinolylene ester, (2:1), hydrochloride
- IUPAC
- [2-methyl-5-(methylcarbamoyloxy)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-yl] N-methylcarbamate chloride
Names & synonyms
63982-18-3Carbamic acid, methyl-, (1,2,3,4-tetrahydro-2-methyl)-5,6-isoquinolylene ester, (2:1), hydrochlorideRefChem:1080915Isoquinoline, 2-methyl-1,2,3,4-tetrahydro-5,6-bis-(N-methylcarbamyloxy) hydrochlorideT-1970
Database identifiers
- CAS
63982-18-3- PubChem CID
- 46070
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…