3-[(4-fluorophenyl)methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: 3-[(4-fluorophenyl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: 3-[(4-fluorophenyl)methylammonio]-4-methyl-pentanoate CAS Name: 3-[(4-fluorophenyl)methylammonio]-4-methylpentanoate IUPAC Name: 3-[(4-fluorophenyl)methylazaniumyl]-4-methylpentanoate Traditional Name: 3-[(4-fluorobenzyl)ammonio]-4-methyl-valerate Formula: C13H18FNO2 MolecularWeight: 239.285923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)[O-])[NH2+]CC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)C(CC(=O)[O-])[NH2+]CC1=CC=C(C=C1)F

InChI

InChI=1S/C13H18FNO2/c1-9(2)12(7-13(16)17)15-8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)