4-methyl-2-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(1R)-1-(4-methyl-1-piperidin-1-iumyl)ethyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]thiazole-5-carboxylate Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C13H20N2O2S/c1-8-4-6-15(7-5-8)10(3)12-14-9(2)11(18-12)13(16)17/h8,10H,4-7H2,1-3H3,(H,16,17)/t10-/m1/s1