1-methyl-3-[[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl]carbamoyl]pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-[[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl]carbamoyl]pyrazole-4-carboxylate Openeye Name: 1-methyl-3-[[(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]pyrazole-4-carboxylate CAS Name: 1-methyl-3-[[[(2R)-1-(4-morpholin-4-iumyl)propan-2-yl]amino]-oxomethyl]-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-[[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl]carbamoyl]pyrazole-4-carboxylate Traditional Name: 1-methyl-3-[[(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl]carbamoyl]pyrazole-4-carboxylate Formula: C13H20N4O4 MolecularWeight: 296.3223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)NC(=O)C2=NN(C=C2C(=O)[O-])C

Isomeric SMILES

C[C@H](C[NH+]1CCOCC1)NC(=O)C2=NN(C=C2C(=O)[O-])C

InChI

InChI=1S/C13H20N4O4/c1-9(7-17-3-5-21-6-4-17)14-12(18)11-10(13(19)20)8-16(2)15-11/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)/t9-/m1/s1