2-[(1R)-1-[ethyl-(phenylmethyl)azaniumyl]ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(1R)-1-[ethyl-(phenylmethyl)azaniumyl]ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(1R)-1-[benzyl(ethyl)ammonio]ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(1R)-1-[ethyl-(phenylmethyl)ammonio]ethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(1R)-1-[benzyl(ethyl)azaniumyl]ethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(1R)-1-[benzyl(ethyl)ammonio]ethyl]-4-methyl-thiazole-5-carboxylate Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/c1-4-18(10-13-8-6-5-7-9-13)12(3)15-17-11(2)14(21-15)16(19)20/h5-9,12H,4,10H2,1-3H3,(H,19,20)/t12-/m1/s1