Basic information
- CAS
94483-65-5- Standard SMILES
C[N+](C)(C)CC1=CC=CC(=O)C1=O.[I-]- InChIKey
MKNDVTFWYRYHSW-UHFFFAOYSA-M- Molecular formula
- C10H14INO2
- Average molar mass
- 307.13 g/mol
- Monoisotopic mass
- 307.00693
Names & identifiers
- Preferred name
- 1,3-Cyclohexadiene-1-methanaminium, N,N,N-trimethyl-5,6-dioxo-, iodide
- IUPAC
- (5,6-dioxocyclohexa-1,3-dien-1-yl)methyl-trimethylazanium iodide
Names & synonyms
94483-65-5DTXSID709154901,3-Cyclohexadiene-1-methanaminium, N,N,N-trimethyl-5,6-dioxo-, iodide(5,6-Dioxocyclohexa-1,3-dien-1-yl)-N,N,N-trimethylmethanaminium iodide
Database identifiers
- CAS
94483-65-5- PubChem CID
- 185348
- DTXSID
DTXSID70915490
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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