Basic information
- CAS
63981-79-3- Standard SMILES
CNC(=O)N(C)C(=O)Oc1ccccc1C[N+](C)(C)C.[I-]- InChIKey
WEXXTSQGGXHLSQ-UHFFFAOYSA-N- Molecular formula
- C14H22IN3O3
- Average molar mass
- 407.25 g/mol
- Monoisotopic mass
- 407.07059
Names & identifiers
- Preferred name
- Ammonium, (2-hydroxybenzyl)trimethyl-, iodide, N-methyl-N-(N'-methylcarbamyl)carbamate
- IUPAC
- trimethyl-[[2-[methyl(methylcarbamoyl)carbamoyl]oxyphenyl]methyl]azanium iodide
Names & synonyms
Carbamic acid, N-methyl-N-(methylcarbamyl)-, 2-(trimethylammonio)methylphenyl ester, iodideAmmonium, (2-(N-methyl-N-(N'-methylcarbamyl))carbamoyloxy)trimethyl-, iodideAmmonium, (2-hydroxybenzyl)trimethyl-, iodide, N-methyl-N-(N'-methylcarbamyl)carbamateBenzenemethanaminium, N,N,N-trimethyl-2-methyl(methylamino)carbonylaminocarbonyloxy-, iodideCarbamic acid, N-methyl-N-(N'-methylcarbamyl)-, 2-dimethylaminomethylphenyl ester, methiodide63981-79-3RefChem:318799
Database identifiers
- CAS
63981-79-3- PubChem CID
- 46007
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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