Basic information
- CAS
5099-52-5- Standard SMILES
C[N+](C)(C)CCOC(=O)c1cccnc1.[I-]- InChIKey
VIIRWRBSNZVYQG-UHFFFAOYSA-M- Molecular formula
- C11H17IN2O2
- Average molar mass
- 336.17 g/mol
- Monoisotopic mass
- 336.03348
Names & identifiers
- Preferred name
- Choline, iodide, nicotinate
- IUPAC
- trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium iodide
Names & synonyms
Nicotinoylcholine iodideCholine, iodide, nicotinate5099-52-52-(Dimethylamino)ethyl nicotinate methiodideNicotinic acid, 2-(dimethylamino)ethyl ester, methiodideAmmonium, trimethyl(2-nicotinoyloxyethyl)-, iodide3-Pyridinecarboxylic acid, 2-(dimethylamino)ethyl ester, methiodideEthanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, iodideRefChem:334015Ethanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, iodide (9CI)SCHEMBL28361680SCHEMBL30358063
Show more names
DTXSID00965261N,N,N-Trimethyl-2-[(pyridine-3-carbonyl)oxy]ethan-1-aminium iodide
Database identifiers
- CAS
5099-52-5- PubChem CID
- 199846
- DTXSID
DTXSID00965261
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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