93981-84-1 Purity
96%
If you have any other questions or need other size, please get a quote.
Specification
The PubChem CID for [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is 6433021.
The molecular formula of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is C23H34ClN3O4.
The synonyms for [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride are EINECS 301-178-5 and 93981-89-6.
The molecular weight of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is 452.0 g/mol.
The IUPAC name of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is 2-acetyloxyethyl-[3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium;chloride.
The InChI of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is InChI=1S/C23H34N3O4.ClH/c1-6-25(7-2)22-11-9-20(10-12-22)17-21(18-24)23(28)30-15-8-13-26(4,5)14-16-29-19(3)27;/h9-12,17H,6-8,13-16H2,1-5H3;1H/q+1;/p-1/b21-17+.
The InChIKey of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is IRMHBQBEUOAISY-DIRYEVLESA-M.
The canonical SMILES representation of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C.[Cl-].
The CAS number of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is 93981-89-6.
The European Community (EC) number of [2-(Acetoxy)ethyl]-3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyldimethylammonium chloride is 301-178-5.