2-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: 2-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: 2-(2-piperidin-1-ium-4-ylthiazol-4-yl)acetate CAS Name: 2-[2-(4-piperidin-1-iumyl)-4-thiazolyl]acetate IUPAC Name: 2-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(2-piperidin-1-ium-4-ylthiazol-4-yl)acetate Formula: C10H14N2O2S MolecularWeight: 226.29536

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NC(=CS2)CC(=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1C2=NC(=CS2)CC(=O)[O-]

InChI

InChI=1S/C10H14N2O2S/c13-9(14)5-8-6-15-10(12-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2,(H,13,14)