2-[[2,6-bis(oxidanyl)-3-(2-phenoxyethanoyl)phenyl]methyl-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[2,6-bis(oxidanyl)-3-(2-phenoxyethanoyl)phenyl]methyl-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2,6-dihydroxy-3-(2-phenoxyacetyl)phenyl]methyl-methyl-ammonio]acetate CAS Name: 2-[[2,6-dihydroxy-3-(1-oxo-2-phenoxyethyl)phenyl]methyl-methylammonio]acetate IUPAC Name: 2-[[2,6-dihydroxy-3-(2-phenoxyacetyl)phenyl]methyl-methylazaniumyl]acetate Traditional Name: 2-[[2,6-dihydroxy-3-(2-phenoxyacetyl)benzyl]-methyl-ammonio]acetate Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1O)C(=O)COC2=CC=CC=C2)O)CC(=O)[O-]

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1O)C(=O)COC2=CC=CC=C2)O)CC(=O)[O-]

InChI

InChI=1S/C18H19NO6/c1-19(10-17(22)23)9-14-15(20)8-7-13(18(14)24)16(21)11-25-12-5-3-2-4-6-12/h2-8,20,24H,9-11H2,1H3,(H,22,23)