2,2-bis(fluoranyl)-3-phenyl-3-[(phenylmethyl)azaniumyl]propanoate

Systemtic Name: 2,2-bis(fluoranyl)-3-phenyl-3-[(phenylmethyl)azaniumyl]propanoate Openeye Name: 3-(benzylammonio)-2,2-difluoro-3-phenyl-propanoate CAS Name: 2,2-difluoro-3-phenyl-3-[(phenylmethyl)ammonio]propanoate IUPAC Name: 3-(benzylazaniumyl)-2,2-difluoro-3-phenylpropanoate Traditional Name: 3-(benzylammonio)-2,2-difluoro-3-phenyl-propionate Formula: C16H15F2NO2 MolecularWeight: 291.292606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(C2=CC=CC=C2)C(C(=O)[O-])(F)F

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(C2=CC=CC=C2)C(C(=O)[O-])(F)F

InChI

InChI=1S/C16H15F2NO2/c17-16(18,15(20)21)14(13-9-5-2-6-10-13)19-11-12-7-3-1-4-8-12/h1-10,14,19H,11H2,(H,20,21)