2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonio]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]ammonio]methyl]-4-thiazolecarboxylate IUPAC Name: 2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-fluorobenzyl)-p-anisyl-ammonio]methyl]thiazole-4-carboxylate Formula: C20H19FN2O3S MolecularWeight: 386.439863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C20H19FN2O3S/c1-26-17-8-4-15(5-9-17)11-23(10-14-2-6-16(21)7-3-14)12-19-22-18(13-27-19)20(24)25/h2-9,13H,10-12H2,1H3,(H,24,25)