Basic information
- CAS
25517-18-4- Standard SMILES
C[N+]1(CCC(=O)NC23CC4CC(CC(C4)C2)C3)CCCCC1.[I-]- InChIKey
DSGJDWZPZBHSAK-UHFFFAOYSA-N- Molecular formula
- C19H33IN2O
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.16376
Names & identifiers
- Preferred name
- Piperidinium, 1-(2-(1-adamantylcarbamoyl)ethyl)-1-methyl-, iodide
- IUPAC
- N-(1-adamantyl)-3-(1-methylpiperidin-1-ium-1-yl)propanamide iodide
Names & synonyms
25517-18-4Piperidinium, 1-(2-(1-adamantylcarbamoyl)ethyl)-1-methyl-, iodideRefChem:1096282T 22511-(2-(1-Adamantylcarbamoyl)ethyl)-1-methylpiperidinium iodide
Database identifiers
- CAS
25517-18-4- PubChem CID
- 64227
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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