[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C15H18N4O4/c1-9-13(10(2)18(4)17-9)16-14(20)11(3)23-15(21)12-5-7-19(22)8-6-12/h5-8,11H,1-4H3,(H,16,20)/t11-/m0/s1