2-[(S)-(dimethylazaniumyl)-(2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(S)-(dimethylazaniumyl)-(2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(S)-(dimethylammonio)-(o-tolyl)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(S)-(dimethylammonio)-(2-methylphenyl)methyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(S)-(dimethylazaniumyl)-(2-methylphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(S)-(dimethylammonio)-(o-tolyl)methyl]-4-methyl-thiazole-5-carboxylate Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=NC(=C(S2)C(=O)[O-])C)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C2=NC(=C(S2)C(=O)[O-])C)[NH+](C)C

InChI

InChI=1S/C15H18N2O2S/c1-9-7-5-6-8-11(9)12(17(3)4)14-16-10(2)13(20-14)15(18)19/h5-8,12H,1-4H3,(H,18,19)/t12-/m0/s1