5-[(3-fluorophenyl)methyl-methyl-azaniumyl]pentanoate

Systemtic Name: 5-[(3-fluorophenyl)methyl-methyl-azaniumyl]pentanoate Openeye Name: 5-[(3-fluorophenyl)methyl-methyl-ammonio]pentanoate CAS Name: 5-[(3-fluorophenyl)methyl-methylammonio]pentanoate IUPAC Name: 5-[(3-fluorophenyl)methyl-methylazaniumyl]pentanoate Traditional Name: 5-[(3-fluorobenzyl)-methyl-ammonio]valerate Formula: C13H18FNO2 MolecularWeight: 239.285923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FNO2/c1-15(8-3-2-7-13(16)17)10-11-5-4-6-12(14)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,17)