1-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Formula: C12H20N4O3 MolecularWeight: 268.3122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@H](C1)CCO)CCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C12H20N4O3/c17-8-4-10-3-1-2-5-15(10)6-7-16-9-11(12(18)19)13-14-16/h9-10,17H,1-8H2,(H,18,19)/t10-/m1/s1