3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]benzoate

Systemtic Name: 3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]benzoate Openeye Name: 3-bromo-4-[2-(diethylammonio)ethoxy]benzoate CAS Name: 3-bromo-4-[2-(diethylammonio)ethoxy]benzoate IUPAC Name: 3-bromo-4-[2-(diethylazaniumyl)ethoxy]benzoate Traditional Name: 3-bromo-4-[2-(diethylammonio)ethoxy]benzoate Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO3/c1-3-15(4-2)7-8-18-12-6-5-10(13(16)17)9-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)