3-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-fluoranyl-benzoate

Systemtic Name: 3-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-fluoranyl-benzoate Openeye Name: 3-[4-[2-(dimethylammonio)ethoxy]phenyl]-4-fluoro-benzoate CAS Name: 3-[4-[2-(dimethylammonio)ethoxy]phenyl]-4-fluorobenzoate IUPAC Name: 3-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]-4-fluorobenzoate Traditional Name: 3-[4-[2-(dimethylammonio)ethoxy]phenyl]-4-fluoro-benzoate Formula: C17H18FNO3 MolecularWeight: 303.328123

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)[O-])F

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)[O-])F

InChI

InChI=1S/C17H18FNO3/c1-19(2)9-10-22-14-6-3-12(4-7-14)15-11-13(17(20)21)5-8-16(15)18/h3-8,11H,9-10H2,1-2H3,(H,20,21)