1-methyl-5-(piperidin-1-ium-4-ylmethylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-(piperidin-1-ium-4-ylmethylcarbamoyl)pyrazole-4-carboxylate Openeye Name: 1-methyl-5-(piperidin-1-ium-4-ylmethylcarbamoyl)pyrazole-4-carboxylate CAS Name: 1-methyl-5-[oxo-(4-piperidin-1-iumylmethylamino)methyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-(piperidin-1-ium-4-ylmethylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-5-(piperidin-1-ium-4-ylmethylcarbamoyl)pyrazole-4-carboxylate Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCC2CC[NH2+]CC2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCC2CC[NH2+]CC2

InChI

InChI=1S/C12H18N4O3/c1-16-10(9(7-15-16)12(18)19)11(17)14-6-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3,(H,14,17)(H,18,19)