Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, allylcarbamate
Basic information
- CAS
64051-14-5- Standard SMILES
C=CCNC(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]- InChIKey
CZCVYRBGBQAORP-UHFFFAOYSA-N- Molecular formula
- C14H22N2O6S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.1198576
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, allylcarbamate
- IUPAC
- methyl sulfate;trimethyl-[3-(prop-2-enylcarbamoyloxy)phenyl]azanium
Names & synonyms
AR-2064051-14-5AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, ALLYLCARBAMATEAllylcarbamic ester of m-oxyphenyltrimethylammonium methylsulfateDTXSID40214189Carbamic acid, N-allyl-, 3-dimethylaminophenyl ester, methosulfateCarbamic acid, N-allyl-, 3-(trimethylammonio)phenyl ester, methylsulfateRefChem:319012DTXCID901366803-((Allylcarbamoyl)oxy)-N,N,N-trimethylbenzenaminium methyl sulfateSCHEMBL29352127N,N,N-Trimethyl-3-{[(prop-2-en-1-yl)carbamoyl]oxy}anilinium methyl sulfate
Database identifiers
- CAS
64051-14-5- PubChem CID
- 47067
- DTXSID
DTXSID40214189
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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