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

Systemtic Name: 3-[5-bromanyl-2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate Openeye Name: 3-[5-bromo-2-[2-(diethylammonio)ethoxy]phenyl]propanoate CAS Name: 3-[5-bromo-2-[2-(diethylammonio)ethoxy]phenyl]propanoate IUPAC Name: 3-[5-bromo-2-[2-(diethylazaniumyl)ethoxy]phenyl]propanoate Traditional Name: 3-[5-bromo-2-[2-(diethylammonio)ethoxy]phenyl]propionate Formula: C15H22BrNO3 MolecularWeight: 344.24408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1)Br)CCC(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1)Br)CCC(=O)[O-]

InChI

InChI=1S/C15H22BrNO3/c1-3-17(4-2)9-10-20-14-7-6-13(16)11-12(14)5-8-15(18)19/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,19)