2-[4-[(dimethylazaniumyl)methyl]phenyl]-5-fluoranyl-benzoate

Systemtic Name: 2-[4-[(dimethylazaniumyl)methyl]phenyl]-5-fluoranyl-benzoate Openeye Name: 2-[4-[(dimethylammonio)methyl]phenyl]-5-fluoro-benzoate CAS Name: 2-[4-[(dimethylammonio)methyl]phenyl]-5-fluorobenzoate IUPAC Name: 2-[4-[(dimethylazaniumyl)methyl]phenyl]-5-fluorobenzoate Traditional Name: 2-[4-[(dimethylammonio)methyl]phenyl]-5-fluoro-benzoate Formula: C16H16FNO2 MolecularWeight: 273.302143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C16H16FNO2/c1-18(2)10-11-3-5-12(6-4-11)14-8-7-13(17)9-15(14)16(19)20/h3-9H,10H2,1-2H3,(H,19,20)