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

Systemtic Name: 2-[[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[[(4-fluorophenyl)methyl-(p-tolylmethyl)ammonio]methyl]thiazole-4-carboxylate CAS Name: 2-[[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]ammonio]methyl]-4-thiazolecarboxylate IUPAC Name: 2-[[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-fluorobenzyl)-(4-methylbenzyl)ammonio]methyl]thiazole-4-carboxylate Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C20H19FN2O2S/c1-14-2-4-15(5-3-14)10-23(11-16-6-8-17(21)9-7-16)12-19-22-18(13-26-19)20(24)25/h2-9,13H,10-12H2,1H3,(H,24,25)