Basic information
- Standard SMILES
C=C(C[N+](C)(C)C)C1=CCCc2cc(OC)ncc21.[I-]- InChIKey
DCARKVMPNAIJKM-UHFFFAOYSA-M- Molecular formula
- C16H23IN2O
- Average molar mass
- 386.27 g/mol
- Monoisotopic mass
- 386.08551
Names & identifiers
- Preferred name
- N,N,N-trimethyl-N-(2-[5,6-dihydro-3-methoxyisoquinol-8-yl]prop-2-en-1-yl)ammonium iodide
- IUPAC
- 2-(3-methoxy-5,6-dihydroisoquinolin-8-yl)prop-2-enyl-trimethylazanium iodide
Names & synonyms
SCHEMBL11720249DCARKVMPNAIJKM-UHFFFAOYSA-MN,N,N-trimethyl-N-(2-[5,6-dihydro-3-methoxyisoquinol-8-yl]prop-2-en-1-yl)ammonium iodide
Database identifiers
- PubChem CID
- 21404775
Properties
Computed structural properties
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
2 records
Compound notes
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