2-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[(4-ethylphenyl)methyl-(2-furylmethyl)ammonio]acetate CAS Name: 2-[(4-ethylphenyl)methyl-(2-furanylmethyl)ammonio]acetate IUPAC Name: 2-[(4-ethylphenyl)methyl-(furan-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[(4-ethylbenzyl)-(2-furfuryl)ammonio]acetate Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC(=O)[O-]

InChI

InChI=1S/C16H19NO3/c1-2-13-5-7-14(8-6-13)10-17(12-16(18)19)11-15-4-3-9-20-15/h3-9H,2,10-12H2,1H3,(H,18,19)