2-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl-(2-furylmethyl)ammonio]acetate CAS Name: 2-[(3,4-dimethoxyphenyl)methyl-(2-furanylmethyl)ammonio]acetate IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[2-furfuryl(veratryl)ammonio]acetate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2=CC=CO2)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2=CC=CO2)CC(=O)[O-])OC

InChI

InChI=1S/C16H19NO5/c1-20-14-6-5-12(8-15(14)21-2)9-17(11-16(18)19)10-13-4-3-7-22-13/h3-8H,9-11H2,1-2H3,(H,18,19)