2-piperidin-1-ium-4-yl-1,3-thiazole-4-carboxylate

Systemtic Name: 2-piperidin-1-ium-4-yl-1,3-thiazole-4-carboxylate Openeye Name: 2-piperidin-1-ium-4-ylthiazole-4-carboxylate CAS Name: 2-(4-piperidin-1-iumyl)-4-thiazolecarboxylate IUPAC Name: 2-piperidin-1-ium-4-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-piperidin-1-ium-4-ylthiazole-4-carboxylate Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,12,13)