2-[4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-thiazol-5-yl]ethanoate

Systemtic Name: 2-[4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-thiazol-5-yl]ethanoate Openeye Name: 2-[4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)thiazol-5-yl]acetate CAS Name: 2-[4-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-5-thiazolyl]acetate IUPAC Name: 2-[4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-thiazol-5-yl]acetate Traditional Name: 2-[4-methyl-2-(2-piperidin-1-ium-1-ylethylthio)thiazol-5-yl]acetate Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC[NH+]2CCCCC2)CC(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)SCC[NH+]2CCCCC2)CC(=O)[O-]

InChI

InChI=1S/C13H20N2O2S2/c1-10-11(9-12(16)17)19-13(14-10)18-8-7-15-5-3-2-4-6-15/h2-9H2,1H3,(H,16,17)