Ajmalinium, N-methyl-, iodide
Basic information
- CAS
21451-45-6- Standard SMILES
CC[C@H]1C2C[C@H]3[C@@H]4N(C)c5ccccc5C45C[C@@H](C2[C@H]5O)[N+]3(C)[C@@H]1O.[I-]- InChIKey
DVXCPMVDGCXNBF-JSQWQWKUSA-M- Molecular formula
- C21H29IN2O2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.12738
Names & identifiers
- Preferred name
- Ajmalinium, N-methyl-, iodide
- IUPAC
- (9R,10S,13S,14R,16S,18R)-13-ethyl-8,15-dimethyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol iodide
Names & synonyms
Ajmalinium, N-methyl-, iodideJodometilato di ajmalinaJodometilato di ajmalina [Italian]21451-45-6RefChem:317884
Database identifiers
- CAS
21451-45-6- PubChem CID
- 210633
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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