Basic information
- CAS
64050-81-3- Standard SMILES
COS(=O)(=O)[O-].C[N+](C)(C)c1cccc(OC(=O)N2CCCCC2)c1- InChIKey
DZNDVMSNQGABIN-UHFFFAOYSA-M- Molecular formula
- C16H26N2O6S
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.15115773
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, pentamethylenecarbamate
- IUPAC
- methyl sulfate;trimethyl-[3-(piperidine-1-carbonyloxy)phenyl]azanium
Names & synonyms
AR-35AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, PENTAMETHYLENECARBAMATE64050-81-3Pentamethylenecarbamic ester of 3-oxyphenyltrimethylammonium methylsulfateDTXSID60214186Ammonium, (3-(pentamethylenecarbamoyloxy)phenyl)trimethyl-, methylsulfateCarbamic acid, N,N-pentamethylene-, 3-dimethylaminophenyl ester, methosulfateCarbamic acid, pentamethylene-, m-(trimethylammonio)phenyl ester, methylsulfateRefChem:319022DTXCID60136677SCHEMBL29586720N,N,N-Trimethyl-3-[(piperidine-1-carbonyl)oxy]anilinium methyl sulfate
Database identifiers
- CAS
64050-81-3- PubChem CID
- 47018
- DTXSID
DTXSID60214186
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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