Basic information
- CAS
64050-79-9- Standard SMILES
CN(C(=O)Oc1cccc([N+](C)(C)C)c1)c1ccccc1.COS(=O)(=O)[O-]- InChIKey
NZONVSABIFGBSY-UHFFFAOYSA-M- Molecular formula
- C18H24N2O6S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.13550766
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, methylphenylcarbamate
- IUPAC
- methyl sulfate;trimethyl-[3-[methyl(phenyl)carbamoyl]oxyphenyl]azanium
Names & synonyms
64050-79-9AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, METHYLPHENYLCARBAMATEMethylphenylcarbamic ester of 3-oxyphenyltrimethylammonium methylsulfateDTXSID00214185Carbamic acid, N-methyl-N-phenyl-, 3-(trimethylammonio)phenyl esterAmmonium, (3-(N'-methyl-N'-phenylcarbamoyloxy)phenyl)trimethyl-, methylsulfateRefChem:319021DTXCID00136676N,N,N-trimethyl-3-{[methyl(phenyl)carbamoyl]oxy}anilinium methyl sulfate
Database identifiers
- CAS
64050-79-9- PubChem CID
- 47016
- DTXSID
DTXSID00214185
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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