3-[3-bromanyl-5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-5-chloranyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate Openeye Name: 3-[3-bromo-5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]propanoate CAS Name: 3-[3-bromo-5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-bromo-5-chloro-2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate Traditional Name: 3-[3-bromo-5-chloro-2-[2-(diethylammonio)ethoxy]phenyl]propionate Formula: C15H21BrClNO3 MolecularWeight: 378.68914

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1CCC(=O)[O-])Cl)Br

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1CCC(=O)[O-])Cl)Br

InChI

InChI=1S/C15H21BrClNO3/c1-3-18(4-2)7-8-21-15-11(5-6-14(19)20)9-12(17)10-13(15)16/h9-10H,3-8H2,1-2H3,(H,19,20)