1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrazole-4-carboxylate Openeye Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrazole-4-carboxylate CAS Name: 1-methyl-3-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)pyrazole-4-carboxylate Formula: C12H18N4O4 MolecularWeight: 282.29572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4/c1-15-8-9(12(18)19)10(14-15)11(17)13-2-3-16-4-6-20-7-5-16/h8H,2-7H2,1H3,(H,13,17)(H,18,19)