Ammonium, ((3-hydroxy-4-methoxy-alpha-methyl)benzyl)trimethyl-, iodide, methylcarbamate
Basic information
- CAS
64046-27-1- Standard SMILES
CNC(=O)Oc1cc(C(C)[N+](C)(C)C)ccc1OC.[I-]- InChIKey
WOISFDDSLXQGKE-UHFFFAOYSA-N- Molecular formula
- C14H23IN2O3
- Average molar mass
- 394.25 g/mol
- Monoisotopic mass
- 394.07534
Names & identifiers
- Preferred name
- Ammonium, ((3-hydroxy-4-methoxy-alpha-methyl)benzyl)trimethyl-, iodide, methylcarbamate
- IUPAC
- 1-[4-methoxy-3-(methylcarbamoyloxy)phenyl]ethyl-trimethylazanium iodide
Names & synonyms
AR-30Benzenemethanaminium, 4-methoxy-N,N,N,alpha-tetramethyl-3-(methylamino)carbonyloxy-, iodideMethylcarbamic ester of alpha-(3-hydroxy-4-methoxyphenyl)ethyltrimethylammonium iodideAmmonium, ((4-methoxy-3-(methylcarbamoyloxy)-alpha-methyl)benzyl)trimethyl-, iodideAmmonium, ((3-hydroxy-4-methoxy-alpha-methyl)benzyl)trimethyl-, iodide, methylcarbamateCarbamic acid, methyl-, (2-methoxy-5-(alpha-(trimethylammonio)ethyl)phenyl) ester, iodideCarbamic acid, N-methyl-, 3-(alpha-dimethylaminoethyl)-6-methoxyphenyl ester, methiodide64046-27-1RefChem:318638SCHEMBL29403136
Database identifiers
- CAS
64046-27-1- PubChem CID
- 46599
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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