2-[(R)-(3-chlorophenyl)-(dimethylazaniumyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(R)-(3-chlorophenyl)-(dimethylazaniumyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(R)-(3-chlorophenyl)-(dimethylammonio)methyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(R)-(3-chlorophenyl)-(dimethylammonio)methyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(R)-(3-chlorophenyl)-(dimethylazaniumyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(R)-(3-chlorophenyl)-(dimethylammonio)methyl]-4-methyl-thiazole-5-carboxylate Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C2=CC(=CC=C2)Cl)[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)[C@@H](C2=CC(=CC=C2)Cl)[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C14H15ClN2O2S/c1-8-12(14(18)19)20-13(16-8)11(17(2)3)9-5-4-6-10(15)7-9/h4-7,11H,1-3H3,(H,18,19)/t11-/m1/s1