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

Systemtic Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate Openeye Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate CAS Name: 1-methyl-3-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-3-(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)NCCC[NH+]2CCOCC2)C(=O)[O-]

Isomeric SMILES

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

InChI

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