1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Formula: C12H20N4O2 MolecularWeight: 252.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCN2C=C(N=N2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CCN2C=C(N=N2)C(=O)[O-])C

InChI

InChI=1S/C12H20N4O2/c1-9-4-3-5-10(2)16(9)7-6-15-8-11(12(17)18)13-14-15/h8-10H,3-7H2,1-2H3,(H,17,18)/t9-,10-/m0/s1