2-[[(2,4-dimethoxyphenyl)methyl-[(1R)-1-phenylethyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[[(2,4-dimethoxyphenyl)methyl-[(1R)-1-phenylethyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[[(2,4-dimethoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonio]methyl]thiazole-4-carboxylate CAS Name: 2-[[(2,4-dimethoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonio]methyl]-4-thiazolecarboxylate IUPAC Name: 2-[[(2,4-dimethoxyphenyl)methyl-[(1R)-1-phenylethyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2,4-dimethoxybenzyl)-[(1R)-1-phenylethyl]ammonio]methyl]thiazole-4-carboxylate Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+](CC2=C(C=C(C=C2)OC)OC)CC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C22H24N2O4S/c1-15(16-7-5-4-6-8-16)24(13-21-23-19(14-29-21)22(25)26)12-17-9-10-18(27-2)11-20(17)28-3/h4-11,14-15H,12-13H2,1-3H3,(H,25,26)/t15-/m1/s1