1-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: 1-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate Openeye Name: 1-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CN1C(=C(C=N1)C(=O)[O-])C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C13H20N4O4/c1-16-11(10(9-15-16)13(19)20)12(18)14-3-2-4-17-5-7-21-8-6-17/h9H,2-8H2,1H3,(H,14,18)(H,19,20)