2-[2-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(1S)-1-piperidin-1-ium-1-ylethyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(1S)-1-(1-piperidin-1-iumyl)ethyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(1S)-1-piperidin-1-ium-1-ylethyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(1S)-1-piperidin-1-ium-1-ylethyl]thiazol-4-yl]acetate Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)CC(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=NC(=CS1)CC(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C12H18N2O2S/c1-9(14-5-3-2-4-6-14)12-13-10(8-17-12)7-11(15)16/h8-9H,2-7H2,1H3,(H,15,16)/t9-/m0/s1