(2S)-2-[furan-2-ylmethyl(methyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[furan-2-ylmethyl(methyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[2-furylmethyl(methyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[2-furanylmethyl(methyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[furan-2-ylmethyl(methyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[2-furfuryl(methyl)ammonio]-2-phenyl-acetate Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CO1)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H15NO3/c1-15(10-12-8-5-9-18-12)13(14(16)17)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3,(H,16,17)/t13-/m0/s1