Ajmalinium, N(sup 4)-propyl-, bromide
Basic information
- CAS
14046-99-2- Standard SMILES
CCC[N+]12[C@H](O)[C@@H](CC)C3C[C@H]1[C@@H]1N(C)c4ccccc4C14C[C@H]2C3[C@H]4O.[Br-]- InChIKey
WNHGHARIQXGXTA-UTZXWTGVSA-M- Molecular formula
- C23H33BrN2O2
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 448.17254
Names & identifiers
- Preferred name
- Ajmalinium, N(sup 4)-propyl-, bromide
- IUPAC
- (9R,10S,13S,14R,16S,18R)-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol bromide
Names & synonyms
N-Propylajmaline bromideN4-Propylajmaline bromideN-Propylajmalinium bromideN4-Propylajmalinium bromideN6-Propylajmalinium bromide1-Propylajmalinium, bromideAjmalinium, N(sup 4)-propyl-, bromideAjmalanium, 17,21-dihydroxy-4-propyl-, bromide, (17R,21alpha)-Ajmalinium, 17,21-dihydroxy-4-propyl-, bromide, (17R,21-alpha)-14046-99-2RefChem:317883N-Propylajmalinium bromide (7CI)
Database identifiers
- CAS
14046-99-2- PubChem CID
- 166989
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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