Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester
Basic information
- CAS
62988-53-8- Standard SMILES
CCCCCCOC(=O)C[N+](CC)(CC)C/C=C(/C)Cc1ccccc1Br.[Cl-]- InChIKey
GXRVZHOXJQBSBT-CRDKNBMZSA-M- Molecular formula
- C23H37BrClNO2
- Average molar mass
- 474.9 g/mol
- Monoisotopic mass
- 473.16962
Names & identifiers
- Preferred name
- Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester
- IUPAC
- [(Z)-4-(2-bromophenyl)-3-methylbut-2-enyl]-diethyl-(2-hexoxy-2-oxoethyl)azanium chloride
Names & synonyms
Ammonium, (3-(o-bromobenzyl)-2-butenyl)(carboxymethyl)diethyl-, chloride, hexyl ester62988-53-8RefChem:1076748(3-(o-Bromobenzyl)-2-butenyl)diethyl(hexyloxycarbonylmethyl)ammonium chloride
Database identifiers
- CAS
62988-53-8- PubChem CID
- 6434705
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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