1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]triazole-4-carboxylate Formula: C12H20N4O2 MolecularWeight: 252.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCN2C=C(N=N2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCN2C=C(N=N2)C(=O)[O-])C

InChI

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