Basic information
- CAS
64046-10-2- Standard SMILES
CNC(=O)Oc1cccc(CCC(C)[N+](C)(C)C)c1.[I-]- InChIKey
SSGJYGLHCFJDEP-UHFFFAOYSA-N- Molecular formula
- C15H25IN2O2
- Average molar mass
- 392.28 g/mol
- Monoisotopic mass
- 392.09608
Names & identifiers
- Preferred name
- Ammonium, (4-(3-hydroxyphenyl)-sec-butyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- trimethyl-[4-[3-(methylcarbamoyloxy)phenyl]butan-2-yl]azanium iodide
Names & synonyms
Carbamic acid, methyl-, 3-(3-(trimethylammonio)butyl)phenyl ester, iodideT-203964046-10-2Ammonium, (4-(3-(methylcarbamoyloxy)phenyl)-sec-butyl)trimethyl-, iodideCarbamic acid, N-methyl-, 3-(3-dimethylamino-n-butyl)-phenyl ester, methiodideAMMONIUM, (4-(3-HYDROXYPHENYL)-sec-BUTYL)TRIMETHYL-, IODIDE, METHYLCARBAMATERefChem:318904
Database identifiers
- CAS
64046-10-2- PubChem CID
- 46571
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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